CID 19979750

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

Structural Information

Molecular Formula
C5H5NO2S
SMILES
C1=CSN=C1CC(=O)O
InChI
InChI=1S/C5H5NO2S/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8)
InChIKey
OHEYDQQAGOMBJA-UHFFFAOYSA-N
Compound name
2-(1,2-thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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

No literature data available for this compound.

Patent stripe

patents stripe