PubChemLite - Glycyl-l-histidyl-l-lysine (C14H24N6O4)

Structural Information

Molecular Formula

SMILES

C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN

InChI

InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/t10-,11-/m0/s1

InChIKey

MVORZMQFXBLMHM-QWRGUYRKSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.19318	178.2
[M+Na]+	363.17512	178.0
[M-H]-	339.17862	175.1
[M+NH4]+	358.21972	186.7
[M+K]+	379.14906	176.7
[M+H-H2O]+	323.18316	168.6
[M+HCOO]-	385.18410	195.8
[M+CH3COO]-	399.19975	216.2
[M+Na-2H]-	361.16057	175.3
[M]+	340.18535	173.1
[M]-	340.18645	173.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.19318

178.2

[M+Na]+

363.17512

178.0

[M-H]-

339.17862

175.1

[M+NH4]+

358.21972

186.7

[M+K]+

379.14906

176.7

[M+H-H2O]+

323.18316

168.6

[M+HCOO]-

385.18410

195.8

[M+CH3COO]-

399.19975

216.2

[M+Na-2H]-

361.16057

175.3

[M]+

340.18535

173.1

[M]-

340.18645

173.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Glycyl-l-histidyl-l-lysine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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