CID 53860028

(2s,3r)-3-hydroxy-2-{[(2s)-pyrrolidin-2-yl]formamido}butanoic acid hydrochloride

Structural Information

Molecular Formula
C9H16N2O4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1)O
InChI
InChI=1S/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
InChIKey
GVUVRRPYYDHHGK-VQVTYTSYSA-N
Compound name
(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4861
Patents

216.11101 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.118286 150.3
[M+Na]+ 239.100228 152.6
[M-H]- 215.103734 147.6
[M+NH4]+ 234.144833 165.9
[M+K]+ 255.074168 151.6
[M+H-H2O]+ 199.108270 143.9
[M+HCOO]- 261.109211 165.0
[M+CH3COO]- 275.124861 181.8
[M+Na-2H]- 237.085676 148.3
[M]+ 216.11046142 143.7
[M]- 216.11155858 143.7
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