CID 21427465

53233-90-2

Structural Information

Molecular Formula
C6H7NO2S
SMILES
CC1=NC=C(S1)C(=O)OC
InChI
InChI=1S/C6H7NO2S/c1-4-7-3-5(10-4)6(8)9-2/h3H,1-2H3
InChIKey
WJPVCUYKYLWTPC-UHFFFAOYSA-N
Compound name
methyl 2-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

157.01974 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.027016 129.6
[M+Na]+ 180.008958 139.6
[M-H]- 156.012464 133.0
[M+NH4]+ 175.053563 152.0
[M+K]+ 195.982898 138.7
[M+H-H2O]+ 140.017000 124.2
[M+HCOO]- 202.017941 149.1
[M+CH3COO]- 216.033591 173.3
[M+Na-2H]- 177.994406 131.7
[M]+ 157.01919142 133.9
[M]- 157.02028858 133.9
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