CID 14182672

2344679-27-0

Structural Information

Molecular Formula

C₅H₆N₂O₂S

SMILES

C1=C(N=CS1)C(C(=O)O)N

InChI

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

InChIKey

LHNDLTCCZWUZIS-UHFFFAOYSA-N

Compound name

2-amino-2-(1,3-thiazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 158.015 Da
Monoisotopic Mass: -2.6
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	130.8
[M+Na]+	181.00422	138.8
[M+NH4]+	176.04882	138.0
[M+K]+	196.97816	135.7
[M-H]-	157.00772	130.5
[M+Na-2H]-	178.98967	134.0
[M]+	158.01445	131.8
[M]-	158.01555	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe