CID 115101

103659-08-1

Structural Information

Molecular Formula

C₅H₈N₂O₃S

SMILES

CC1N(C(CS1)C(=O)O)N=O

InChI

InChI=1S/C5H8N2O3S/c1-3-7(6-10)4(2-11-3)5(8)9/h3-4H,2H2,1H3,(H,8,9)

InChIKey

IENHCEGSGRQUTP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 58
Patents: 176.02556 Da
Monoisotopic Mass: 0.8
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]+	177.03284	134.0
[M+Na]+	199.01478	142.1
[M-H]-	175.01828	136.7
[M+NH4]+	194.05938	154.9
[M+K]+	214.98872	141.5
[M+H-H2O]+	159.02282	128.3
[M+HCOO]-	221.02376	152.0
[M+CH3COO]-	235.03941	178.9
[M+Na-2H]-	197.00023	134.7
[M]+	176.02501	135.3
[M]-	176.02611	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe