CID 302150

2-[(1,3-thiazol-2-yl)amino]acetic acid

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

C1=CSC(=N1)NCC(=O)O

InChI

InChI=1S/C5H6N2O2S/c8-4(9)3-7-5-6-1-2-10-5/h1-2H,3H2,(H,6,7)(H,8,9)

InChIKey

OVWDBMBPUMMLCA-UHFFFAOYSA-N

Compound name

2-(1,3-thiazol-2-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
Patents: 158.015 Da
Monoisotopic Mass: 0.9
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]+	159.022276	129.5
[M+Na]+	181.004218	137.5
[M-H]-	157.007724	131.0
[M+NH4]+	176.048823	150.2
[M+K]+	196.978158	135.6
[M+H-H2O]+	141.012260	123.5
[M+HCOO]-	203.013201	148.7
[M+CH3COO]-	217.028851	172.0
[M+Na-2H]-	178.989666	132.8
[M]+	158.01445142	130.3
[M]-	158.01554858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe