CID 20631564

(4-methylthiophen-3-yl)methanol

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=CSC=C1CO
InChI
InChI=1S/C6H8OS/c1-5-3-8-4-6(5)2-7/h3-4,7H,2H2,1H3
InChIKey
MLROBEQPUCFGLY-UHFFFAOYSA-N
Compound name
(4-methylthiophen-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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

No literature data available for this compound.

Patent stripe

patents stripe