CID 12495177

Methyl 4-methyl-2,5-dihydrothiophene-2-carboxylate

Structural Information

Molecular Formula
C7H10O2S
SMILES
CC1=CC(SC1)C(=O)OC
InChI
InChI=1S/C7H10O2S/c1-5-3-6(10-4-5)7(8)9-2/h3,6H,4H2,1-2H3
InChIKey
GYRJCTJHBDUQHB-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2,5-dihydrothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.04015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.047426 132.3
[M+Na]+ 181.029368 140.7
[M-H]- 157.032874 136.5
[M+NH4]+ 176.073973 155.8
[M+K]+ 197.003308 139.8
[M+H-H2O]+ 141.037410 127.6
[M+HCOO]- 203.038351 151.1
[M+CH3COO]- 217.054001 174.1
[M+Na-2H]- 179.014816 133.0
[M]+ 158.03960142 135.0
[M]- 158.04069858 135.0
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

No patent data available for this compound.