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

27
Patents

159.05316 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06044 132.4
[M+Na]+ 182.04238 138.3
[M-H]- 158.04588 130.4
[M+NH4]+ 177.08698 151.1
[M+K]+ 198.01632 136.8
[M+H-H2O]+ 142.05042 127.2
[M+HCOO]- 204.05136 149.1
[M+CH3COO]- 218.06701 167.5
[M+Na-2H]- 180.02783 133.3
[M]+ 159.05261 127.3
[M]- 159.05371 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