CID 11902893

18684-24-7

Structural Information

Molecular Formula
C10H16N2O4
SMILES
C1C[C@H](NC1)C(=O)N2C[C@@H](C[C@H]2C(=O)O)O
InChI
InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)/t6-,7+,8+/m1/s1
InChIKey
ONPXCLZMBSJLSP-CSMHCCOUSA-N
Compound name
(2S,4R)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

970
Patents

228.11101 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 153.0
[M+Na]+ 251.100228 157.1
[M-H]- 227.103734 152.7
[M+NH4]+ 246.144833 169.2
[M+K]+ 267.074168 155.0
[M+H-H2O]+ 211.108270 146.4
[M+HCOO]- 273.109211 166.4
[M+CH3COO]- 287.124861 179.9
[M+Na-2H]- 249.085676 149.2
[M]+ 228.11046142 145.7
[M]- 228.11155858 145.7
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