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

29
Patents

128.02959 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 123.1
[M+Na]+ 151.01881 132.7
[M-H]- 127.02231 126.4
[M+NH4]+ 146.06341 147.4
[M+K]+ 166.99275 130.5
[M+H-H2O]+ 111.02685 118.9
[M+HCOO]- 173.02779 142.8
[M+CH3COO]- 187.04344 166.8
[M+Na-2H]- 149.00426 125.9
[M]+ 128.02904 124.9
[M]- 128.03014 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