CID 21220663

188937-16-8

Structural Information

Molecular Formula
C5H5NO2S
SMILES
C1=CSC(=N1)CC(=O)O
InChI
InChI=1S/C5H5NO2S/c7-5(8)3-4-6-1-2-9-4/h1-2H,3H2,(H,7,8)
InChIKey
YXTMFYBABGJSBY-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

143.0041 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 126.2
[M+Na]+ 165.99332 135.2
[M-H]- 141.99682 127.8
[M+NH4]+ 161.03792 148.0
[M+K]+ 181.96726 133.5
[M+H-H2O]+ 126.00136 120.8
[M+HCOO]- 188.00230 144.4
[M+CH3COO]- 202.01795 167.2
[M+Na-2H]- 163.97877 128.9
[M]+ 143.00355 127.8
[M]- 143.00465 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe