CID 152307

H-pro-val-oh

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKey
AWJGUZSYVIVZGP-YUMQZZPRSA-N
Compound name
(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4505
Patents

214.13174 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 152.1
[M+Na]+ 237.12096 154.5
[M-H]- 213.12446 150.7
[M+NH4]+ 232.16556 168.7
[M+K]+ 253.09490 153.6
[M+H-H2O]+ 197.12900 145.6
[M+HCOO]- 259.12994 167.8
[M+CH3COO]- 273.14559 185.0
[M+Na-2H]- 235.10641 149.9
[M]+ 214.13119 146.3
[M]- 214.13229 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.