CID 528074

(5-methylthiophen-2-yl)methanol

Structural Information

Molecular Formula
C6H8OS
SMILES
CC1=CC=C(S1)CO
InChI
InChI=1S/C6H8OS/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3
InChIKey
YAWGNFISLHMUDV-UHFFFAOYSA-N
Compound name
(5-methylthiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
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 124.2
[M+Na]+ 151.01881 135.5
[M+NH4]+ 146.06341 133.9
[M+K]+ 166.99275 129.2
[M-H]- 127.02231 126.0
[M+Na-2H]- 149.00426 129.4
[M]+ 128.02904 126.7
[M]- 128.03014 126.7
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

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