CID 69745402

1909288-35-2

Structural Information

Molecular Formula
C6H9NO4
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C(=O)O
InChI
InChI=1S/C6H9NO4/c8-5(9)3-1-7-2-4(3)6(10)11/h3-4,7H,1-2H2,(H,8,9)(H,10,11)/t3-,4-/m1/s1
InChIKey
KMHDKGFRYVKQNW-QWWZWVQMSA-N
Compound name
(3S,4S)-pyrrolidine-3,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

159.05316 Da
Monoisotopic Mass

-3.6
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

No literature data available for this compound.

Patent stripe

patents stripe