CID 10749403

(3-methoxyphenyl)methanethiol

Structural Information

Molecular Formula
C8H10OS
SMILES
COC1=CC=CC(=C1)CS
InChI
InChI=1S/C8H10OS/c1-9-8-4-2-3-7(5-8)6-10/h2-5,10H,6H2,1H3
InChIKey
DUHBAVSWWIYBDM-UHFFFAOYSA-N
Compound name
(3-methoxyphenyl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

154.04524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 128.2
[M+Na]+ 177.03446 137.2
[M-H]- 153.03796 132.6
[M+NH4]+ 172.07906 150.3
[M+K]+ 193.00840 135.2
[M+H-H2O]+ 137.04250 122.9
[M+HCOO]- 199.04344 148.1
[M+CH3COO]- 213.05909 175.4
[M+Na-2H]- 175.01991 132.9
[M]+ 154.04469 131.7
[M]- 154.04579 131.7
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