PubChemLite - Boc-phe-pro-oh (C19H26N2O5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C19H26N2O5/c1-19(2,3)26-18(25)20-14(12-13-8-5-4-6-9-13)16(22)21-11-7-10-15(21)17(23)24/h4-6,8-9,14-15H,7,10-12H2,1-3H3,(H,20,25)(H,23,24)/t14-,15-/m0/s1

InChIKey

ZPRHVPHDENDZTP-GJZGRUSLSA-N

Compound name

(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic 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]+	363.19145	186.4
[M+Na]+	385.17339	188.0
[M-H]-	361.17689	189.5
[M+NH4]+	380.21799	197.7
[M+K]+	401.14733	186.8
[M+H-H2O]+	345.18143	178.8
[M+HCOO]-	407.18237	201.3
[M+CH3COO]-	421.19802	213.1
[M+Na-2H]-	383.15884	183.9
[M]+	362.18362	185.3
[M]-	362.18472	185.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.19145

186.4

[M+Na]+

385.17339

188.0

[M-H]-

361.17689

189.5

[M+NH4]+

380.21799

197.7

[M+K]+

401.14733

186.8

[M+H-H2O]+

345.18143

178.8

[M+HCOO]-

407.18237

201.3

[M+CH3COO]-

421.19802

213.1

[M+Na-2H]-

383.15884

183.9

[M]+

362.18362

185.3

[M]-

362.18472

185.3

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

Boc-phe-pro-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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