CID 2733517

Cis-azetidine-2,4-dicarboxylic acid

Structural Information

Molecular Formula
C5H7NO4
SMILES
C1[C@@H](N[C@@H]1C(=O)O)C(=O)O
InChI
InChI=1S/C5H7NO4/c7-4(8)2-1-3(6-2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+
InChIKey
JMVIGOFRIJJUAW-WSOKHJQSSA-N
Compound name
(2S,4R)-azetidine-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

128
Patents

145.0375 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.044776 129.6
[M+Na]+ 168.026718 134.4
[M-H]- 144.030224 127.7
[M+NH4]+ 163.071323 140.6
[M+K]+ 184.000658 136.5
[M+H-H2O]+ 128.034760 118.9
[M+HCOO]- 190.035701 145.2
[M+CH3COO]- 204.051351 170.2
[M+Na-2H]- 166.012166 131.7
[M]+ 145.03695142 134.3
[M]- 145.03804858 134.3
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