CID 37818647

Methyl 5-methylthiazole-4-carboxylate

Structural Information

Molecular Formula
C6H7NO2S
SMILES
CC1=C(N=CS1)C(=O)OC
InChI
InChI=1S/C6H7NO2S/c1-4-5(6(8)9-2)7-3-10-4/h3H,1-2H3
InChIKey
FFDBALRFBPEJBH-UHFFFAOYSA-N
Compound name
methyl 5-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

157.01974 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 129.6
[M+Na]+ 180.00896 139.6
[M-H]- 156.01246 133.0
[M+NH4]+ 175.05356 152.0
[M+K]+ 195.98290 138.7
[M+H-H2O]+ 140.01700 124.2
[M+HCOO]- 202.01794 149.1
[M+CH3COO]- 216.03359 173.3
[M+Na-2H]- 177.99441 131.7
[M]+ 157.01919 133.9
[M]- 157.02029 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