CID 676412

23576-80-9

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

C1=CSC(=N)N1CC(=O)O

InChI

InChI=1S/C5H6N2O2S/c6-5-7(1-2-10-5)3-4(8)9/h1-2,6H,3H2,(H,8,9)

InChIKey

UGZFQKKKGOPZMG-UHFFFAOYSA-N

Compound name

2-(2-imino-1,3-thiazol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 33
Patents: 158.015 Da
Monoisotopic Mass: 0.1
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]+	159.02228	131.1
[M+Na]+	181.00422	140.2
[M+NH4]+	176.04882	138.3
[M+K]+	196.97816	136.0
[M-H]-	157.00772	130.9
[M+Na-2H]-	178.98967	134.7
[M]+	158.01445	132.3
[M]-	158.01555	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe