CID 22712963

Aziridine-2,3-dicarboxylic acid

Structural Information

Molecular Formula

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: 33
Patents: 131.02185 Da
Monoisotopic Mass: -3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	132.02913	124.6
[M+Na]+	154.01107	134.3
[M-H]-	130.01457	124.6
[M+NH4]+	149.05567	138.4
[M+K]+	169.98501	131.0
[M+H-H2O]+	114.01911	119.3
[M+HCOO]-	176.02005	143.0
[M+CH3COO]-	190.03570	167.8
[M+Na-2H]-	151.99652	128.5
[M]+	131.02130	124.9
[M]-	131.02240	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe