CID 23261287

4-ethyl-2-thiophenemethanol

Structural Information

Molecular Formula
C7H10OS
SMILES
CCC1=CSC(=C1)CO
InChI
InChI=1S/C7H10OS/c1-2-6-3-7(4-8)9-5-6/h3,5,8H,2,4H2,1H3
InChIKey
PPTBORVTNMLJHR-UHFFFAOYSA-N
Compound name
(4-ethylthiophen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

142.04524 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.052516 127.6
[M+Na]+ 165.034458 136.8
[M-H]- 141.037964 130.7
[M+NH4]+ 160.079063 151.4
[M+K]+ 181.008398 134.4
[M+H-H2O]+ 125.042500 123.2
[M+HCOO]- 187.043441 147.0
[M+CH3COO]- 201.059091 169.8
[M+Na-2H]- 163.019906 129.9
[M]+ 142.04469142 129.8
[M]- 142.04578858 129.8
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