CID 84008121

Methyl 2-(2-formyl-1,3-thiazol-4-yl)acetate

Structural Information

Molecular Formula
C7H7NO3S
SMILES
COC(=O)CC1=CSC(=N1)C=O
InChI
InChI=1S/C7H7NO3S/c1-11-7(10)2-5-4-12-6(3-9)8-5/h3-4H,2H2,1H3
InChIKey
NHAJWEFCQVWHFB-UHFFFAOYSA-N
Compound name
methyl 2-(2-formyl-1,3-thiazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.01466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.021936 136.5
[M+Na]+ 208.003878 146.2
[M-H]- 184.007384 139.7
[M+NH4]+ 203.048483 157.6
[M+K]+ 223.977818 144.8
[M+H-H2O]+ 168.011920 130.8
[M+HCOO]- 230.012861 156.0
[M+CH3COO]- 244.028511 177.4
[M+Na-2H]- 205.989326 138.2
[M]+ 185.01411142 141.8
[M]- 185.01520858 141.8
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

No patent data available for this compound.