CID 20203577

102624-97-5

Structural Information

Molecular Formula

C₄H₆N₂O₃

SMILES

C1C(CN1N=O)C(=O)O

InChI

InChI=1S/C4H6N2O3/c7-4(8)3-1-6(2-3)5-9/h3H,1-2H2,(H,7,8)

InChIKey

LOKLKVWDANNUKQ-UHFFFAOYSA-N

Compound name

1-nitrosoazetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 130.03784 Da
Monoisotopic Mass: -0.5
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]+	131.045116	121.5
[M+Na]+	153.027058	127.6
[M-H]-	129.030564	123.9
[M+NH4]+	148.071663	135.1
[M+K]+	169.000998	131.6
[M+H-H2O]+	113.035100	110.2
[M+HCOO]-	175.036041	143.8
[M+CH3COO]-	189.051691	176.4
[M+Na-2H]-	151.012506	127.5
[M]+	130.03729142	130.0
[M]-	130.03838858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe