CID 12393939

3-methoxy-1,2-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C5H5NO3S
SMILES
COC1=NSC=C1C(=O)O
InChI
InChI=1S/C5H5NO3S/c1-9-4-3(5(7)8)2-10-6-4/h2H,1H3,(H,7,8)
InChIKey
HFIVBUVVMPQPTK-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

158.99901 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.00629 128.7
[M+Na]+ 181.98823 138.3
[M-H]- 157.99173 130.6
[M+NH4]+ 177.03283 150.0
[M+K]+ 197.96217 137.2
[M+H-H2O]+ 141.99627 123.4
[M+HCOO]- 203.99721 147.1
[M+CH3COO]- 218.01286 170.4
[M+Na-2H]- 179.97368 130.9
[M]+ 158.99846 132.1
[M]- 158.99956 132.1
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