CID 127037

1706418-84-9

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1CNC(C1C(=O)O)C(=O)O
InChI
InChI=1S/C6H9NO4/c8-5(9)3-1-2-7-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)
InChIKey
GLQKHRAKKLRGNR-UHFFFAOYSA-N
Compound name
pyrrolidine-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

67
Patents

159.05316 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 132.4
[M+Na]+ 182.042378 138.3
[M-H]- 158.045884 130.4
[M+NH4]+ 177.086983 151.1
[M+K]+ 198.016318 136.8
[M+H-H2O]+ 142.050420 127.2
[M+HCOO]- 204.051361 149.1
[M+CH3COO]- 218.067011 167.5
[M+Na-2H]- 180.027826 133.3
[M]+ 159.05261142 127.3
[M]- 159.05370858 127.3
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