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]+ 159.04743 132.3
[M+Na]+ 181.02937 140.7
[M-H]- 157.03287 136.5
[M+NH4]+ 176.07397 155.8
[M+K]+ 197.00331 139.8
[M+H-H2O]+ 141.03741 127.6
[M+HCOO]- 203.03835 151.1
[M+CH3COO]- 217.05400 174.1
[M+Na-2H]- 179.01482 133.0
[M]+ 158.03960 135.0
[M]- 158.04070 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.