CID 13289289

2-(5-methylthiophen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H10OS
SMILES
CC1=CC=C(S1)CCO
InChI
InChI=1S/C7H10OS/c1-6-2-3-7(9-6)4-5-8/h2-3,8H,4-5H2,1H3
InChIKey
HOEPFPYTAXOPFN-UHFFFAOYSA-N
Compound name
2-(5-methylthiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

142.04524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 128.5
[M+Na]+ 165.03446 139.6
[M+NH4]+ 160.07906 138.2
[M+K]+ 181.00840 133.2
[M-H]- 141.03796 130.3
[M+Na-2H]- 163.01991 133.5
[M]+ 142.04469 131.0
[M]- 142.04579 131.0
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