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]+ 215.139016 152.1
[M+Na]+ 237.120958 154.5
[M-H]- 213.124464 150.7
[M+NH4]+ 232.165563 168.7
[M+K]+ 253.094898 153.6
[M+H-H2O]+ 197.129000 145.6
[M+HCOO]- 259.129941 167.8
[M+CH3COO]- 273.145591 185.0
[M+Na-2H]- 235.106406 149.9
[M]+ 214.13119142 146.3
[M]- 214.13228858 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

literature stripe

Patent stripe

patents stripe