CID 91753411

Yjhgyybtccjnsh-uhfffaoysa-n

Structural Information

Molecular Formula
C7H7NO2S
SMILES
COC(=O)C1=C(SC=N1)C=C
InChI
InChI=1S/C7H7NO2S/c1-3-5-6(7(9)10-2)8-4-11-5/h3-4H,1H2,2H3
InChIKey
YJHGYYBTCCJNSH-UHFFFAOYSA-N
Compound name
methyl 5-ethenyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01974 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.027016 133.3
[M+Na]+ 192.008958 143.2
[M-H]- 168.012464 136.5
[M+NH4]+ 187.053563 155.1
[M+K]+ 207.982898 141.4
[M+H-H2O]+ 152.017000 127.7
[M+HCOO]- 214.017941 152.6
[M+CH3COO]- 228.033591 175.4
[M+Na-2H]- 189.994406 134.8
[M]+ 169.01919142 137.2
[M]- 169.02028858 137.2
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.