CID 12357495

4526-41-4

Structural Information

Molecular Formula
C8H10OS
SMILES
CSCC1=CC=CC=C1O
InChI
InChI=1S/C8H10OS/c1-10-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3
InChIKey
USUGKGZNYHHQAW-UHFFFAOYSA-N
Compound name
2-(methylsulfanylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

154.04524 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 128.7
[M+Na]+ 177.03446 137.2
[M-H]- 153.03796 131.6
[M+NH4]+ 172.07906 150.0
[M+K]+ 193.00840 134.2
[M+H-H2O]+ 137.04250 123.7
[M+HCOO]- 199.04344 147.0
[M+CH3COO]- 213.05909 172.7
[M+Na-2H]- 175.01991 132.9
[M]+ 154.04469 130.4
[M]- 154.04579 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe