CID 12875263

(3-methylthiophen-2-yl)methanol

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=C(SC=C1)CO
InChI
InChI=1S/C6H8OS/c1-5-2-3-8-6(5)4-7/h2-3,7H,4H2,1H3
InChIKey
UAQJEIWAMCLVTE-UHFFFAOYSA-N
Compound name
(3-methylthiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

128.02959 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.036866 123.1
[M+Na]+ 151.018808 132.7
[M-H]- 127.022314 126.4
[M+NH4]+ 146.063413 147.4
[M+K]+ 166.992748 130.5
[M+H-H2O]+ 111.026850 118.9
[M+HCOO]- 173.027791 142.8
[M+CH3COO]- 187.043441 166.8
[M+Na-2H]- 149.004256 125.9
[M]+ 128.02904142 124.9
[M]- 128.03013858 124.9
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