CID 104890

88381-44-6

Structural Information

Molecular Formula

C₄H₆N₂O₃S

SMILES

C1C(N(CS1)N=O)C(=O)O

InChI

InChI=1S/C4H6N2O3S/c7-4(8)3-1-10-2-6(3)5-9/h3H,1-2H2,(H,7,8)

InChIKey

LGLMHMRNPVACGS-UHFFFAOYSA-N

Compound name

3-nitroso-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 39
References: 10
Patents: 162.00992 Da
Monoisotopic Mass: 0.3
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]+	163.01720	132.2
[M+Na]+	184.99914	139.7
[M+NH4]+	180.04374	139.3
[M+K]+	200.97308	136.4
[M-H]-	161.00264	131.7
[M+Na-2H]-	182.98459	134.5
[M]+	162.00937	133.1
[M]-	162.01047	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe