CID 15324807

3808-40-0

Structural Information

Molecular Formula
C9H8OS
SMILES
CC1=CSC2=C1C=CC=C2O
InChI
InChI=1S/C9H8OS/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5,10H,1H3
InChIKey
CCOSNPSCMBHESX-UHFFFAOYSA-N
Compound name
3-methyl-1-benzothiophen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

164.02959 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03687 129.1
[M+Na]+ 187.01881 141.1
[M-H]- 163.02231 134.0
[M+NH4]+ 182.06341 153.6
[M+K]+ 202.99275 137.3
[M+H-H2O]+ 147.02685 125.1
[M+HCOO]- 209.02779 149.6
[M+CH3COO]- 223.04344 144.6
[M+Na-2H]- 185.00426 134.1
[M]+ 164.02904 133.0
[M]- 164.03014 133.0
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.