CID 16526

2150-55-2

Structural Information

Molecular Formula

C₄H₆N₂O₂S

SMILES

C1C(N=C(S1)N)C(=O)O

InChI

InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)

InChIKey

VHPXSBIFWDAFMB-UHFFFAOYSA-N

Compound name

2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 32
References: 376
Patents: 146.015 Da
Monoisotopic Mass: -0.4
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]+	147.02228	126.9
[M+Na]+	169.00422	135.1
[M-H]-	145.00772	127.9
[M+NH4]+	164.04882	148.0
[M+K]+	184.97816	133.3
[M+H-H2O]+	129.01226	121.3
[M+HCOO]-	191.01320	144.2
[M+CH3COO]-	205.02885	169.9
[M+Na-2H]-	166.98967	128.0
[M]+	146.01445	125.3
[M]-	146.01555	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe