CID 71744018

1388033-29-1

Structural Information

Molecular Formula
C10H10OS
SMILES
CC1=CC2=C(C(=C1)OC)SC=C2
InChI
InChI=1S/C10H10OS/c1-7-5-8-3-4-12-10(8)9(6-7)11-2/h3-6H,1-2H3
InChIKey
FMAMOHQHNNUMQJ-UHFFFAOYSA-N
Compound name
7-methoxy-5-methyl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

178.04524 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.052516 133.6
[M+Na]+ 201.034458 145.5
[M-H]- 177.037964 139.7
[M+NH4]+ 196.079063 158.1
[M+K]+ 217.008398 142.4
[M+H-H2O]+ 161.042500 129.1
[M+HCOO]- 223.043441 155.2
[M+CH3COO]- 237.059091 149.3
[M+Na-2H]- 199.019906 138.4
[M]+ 178.04469142 139.6
[M]- 178.04578858 139.6
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