PubChemLite - Boc-lys(z)-oh (C19H28N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1

InChIKey

BDHUTRNYBGWPBL-HNNXBMFYSA-N

Compound name

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)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]+	381.20201	191.8
[M+Na]+	403.18395	192.6
[M-H]-	379.18745	192.6
[M+NH4]+	398.22855	201.7
[M+K]+	419.15789	192.2
[M+H-H2O]+	363.19199	183.8
[M+HCOO]-	425.19293	209.9
[M+CH3COO]-	439.20858	219.5
[M+Na-2H]-	401.16940	191.6
[M]+	380.19418	194.9
[M]-	380.19528	194.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.20201

191.8

[M+Na]+

403.18395

192.6

[M-H]-

379.18745

192.6

[M+NH4]+

398.22855

201.7

[M+K]+

419.15789

192.2

[M+H-H2O]+

363.19199

183.8

[M+HCOO]-

425.19293

209.9

[M+CH3COO]-

439.20858

219.5

[M+Na-2H]-

401.16940

191.6

[M]+

380.19418

194.9

[M]-

380.19528

194.9

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

Boc-lys(z)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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