CID 102577

38150-49-1

Structural Information

Molecular Formula

SMILES

C1=CSC=C1C(C(=O)O)N

InChI

InChI=1S/C6H7NO2S/c7-5(6(8)9)4-1-2-10-3-4/h1-3,5H,7H2,(H,8,9)

InChIKey

BVGBBSAQOQTNGF-UHFFFAOYSA-N

Compound name

2-amino-2-thiophen-3-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 215
Patents: 157.01974 Da
Monoisotopic Mass: -2.0
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]+	158.02702	131.7
[M+Na]+	180.00896	138.9
[M-H]-	156.01246	134.0
[M+NH4]+	175.05356	153.4
[M+K]+	195.98290	136.9
[M+H-H2O]+	140.01700	126.5
[M+HCOO]-	202.01794	150.0
[M+CH3COO]-	216.03359	172.6
[M+Na-2H]-	177.99441	132.3
[M]+	157.01919	130.7
[M]-	157.02029	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe