CID 59443515

1507952-32-0

Structural Information

Molecular Formula
C5H5NO2S
SMILES
CC1=CSN=C1C(=O)O
InChI
InChI=1S/C5H5NO2S/c1-3-2-9-6-4(3)5(7)8/h2H,1H3,(H,7,8)
InChIKey
WVOCLGXUOTUGLI-UHFFFAOYSA-N
Compound name
4-methyl-1,2-thiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

143.0041 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 125.5
[M+Na]+ 165.99332 135.4
[M-H]- 141.99682 127.6
[M+NH4]+ 161.03792 147.6
[M+K]+ 181.96726 133.7
[M+H-H2O]+ 126.00136 120.5
[M+HCOO]- 188.00230 143.7
[M+CH3COO]- 202.01795 168.3
[M+Na-2H]- 163.97877 127.6
[M]+ 143.00355 127.6
[M]- 143.00465 127.6
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