CID 24274646

2089257-46-3

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

C1=C(N=C(S1)CN)CC(=O)O

InChI

InChI=1S/C6H8N2O2S/c7-2-5-8-4(3-11-5)1-6(9)10/h3H,1-2,7H2,(H,9,10)

InChIKey

GCPVEQHUCJDANR-UHFFFAOYSA-N

Compound name

2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.03065 Da
Monoisotopic Mass: -2.9
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]+	173.037926	134.0
[M+Na]+	195.019868	142.4
[M-H]-	171.023374	135.1
[M+NH4]+	190.064473	154.2
[M+K]+	210.993808	139.9
[M+H-H2O]+	155.027910	128.1
[M+HCOO]-	217.028851	152.2
[M+CH3COO]-	231.044501	175.5
[M+Na-2H]-	193.005316	135.1
[M]+	172.03010142	134.6
[M]-	172.03119858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe