CID 102782

Alpha-methyl-2-thiophenemethanol

Structural Information

Molecular Formula
C6H8OS
SMILES
CC(C1=CC=CS1)O
InChI
InChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
InChIKey
WUNFIVTVJXZDDJ-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

633
Patents

128.02959 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 124.5
[M+Na]+ 151.01881 132.9
[M-H]- 127.02231 127.5
[M+NH4]+ 146.06341 148.4
[M+K]+ 166.99275 131.2
[M+H-H2O]+ 111.02685 120.0
[M+HCOO]- 173.02779 143.2
[M+CH3COO]- 187.04344 166.5
[M+Na-2H]- 149.00426 126.8
[M]+ 128.02904 125.3
[M]- 128.03014 125.3
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