CID 15089039

30248-47-6

Structural Information

Molecular Formula

C₄H₆N₂O₃

SMILES

C1CN([C@@H]1C(=O)O)N=O

InChI

InChI=1S/C4H6N2O3/c7-4(8)3-1-2-6(3)5-9/h3H,1-2H2,(H,7,8)/t3-/m0/s1

InChIKey

ZRTLYYKIFSGFIC-VKHMYHEASA-N

Compound name

(2S)-1-nitrosoazetidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 130.03784 Da
Monoisotopic Mass: 0.0
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]+	131.04512	121.5
[M+Na]+	153.02706	127.6
[M-H]-	129.03056	123.9
[M+NH4]+	148.07166	135.1
[M+K]+	169.00100	131.6
[M+H-H2O]+	113.03510	110.2
[M+HCOO]-	175.03604	143.8
[M+CH3COO]-	189.05169	176.4
[M+Na-2H]-	151.01251	127.5
[M]+	130.03729	130.0
[M]-	130.03839	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe