CID 22712963

Aziridine-2,3-dicarboxylic acid

Structural Information

Molecular Formula
C4H5NO4
SMILES
C1(C(N1)C(=O)O)C(=O)O
InChI
InChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9)
InChIKey
IFCCPDAHQDGHMH-UHFFFAOYSA-N
Compound name
aziridine-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

59
Patents

131.02185 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02913 126.5
[M+Na]+ 154.01107 136.2
[M+NH4]+ 149.05567 132.4
[M+K]+ 169.98501 135.9
[M-H]- 130.01457 130.4
[M+Na-2H]- 151.99652 130.7
[M]+ 131.02130 129.5
[M]- 131.02240 129.5
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