CID 28875553

1086380-07-5

Structural Information

Molecular Formula
C6H7NO3S
SMILES
COCC1=NC(=CS1)C(=O)O
InChI
InChI=1S/C6H7NO3S/c1-10-2-5-7-4(3-11-5)6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKey
PIAYLONXKHUMGZ-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

173.01466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 133.2
[M+Na]+ 196.00388 142.4
[M-H]- 172.00738 135.0
[M+NH4]+ 191.04848 154.0
[M+K]+ 211.97782 141.0
[M+H-H2O]+ 156.01192 127.7
[M+HCOO]- 218.01286 151.3
[M+CH3COO]- 232.02851 173.3
[M+Na-2H]- 193.98933 134.9
[M]+ 173.01411 137.0
[M]- 173.01521 137.0
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