CID 31892

23385-54-8

Structural Information

Molecular Formula
C8H10OS
SMILES
CC1=CC(=C(C=C1)SC)O
InChI
InChI=1S/C8H10OS/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3
InChIKey
ICXVIPDBYKKWPO-UHFFFAOYSA-N
Compound name
5-methyl-2-methylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.04524 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 128.0
[M+Na]+ 177.03446 137.4
[M-H]- 153.03796 131.3
[M+NH4]+ 172.07906 149.7
[M+K]+ 193.00840 134.4
[M+H-H2O]+ 137.04250 123.2
[M+HCOO]- 199.04344 146.3
[M+CH3COO]- 213.05909 173.8
[M+Na-2H]- 175.01991 131.6
[M]+ 154.04469 130.1
[M]- 154.04579 130.1
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