CID 1515192

L-trans-pyrrolidine-2,4-dicarboxylic acid

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

256
References

591
Patents

159.05316 Da
Monoisotopic Mass

-3.2
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

literature stripe

Patent stripe

patents stripe