CID 62605936

3-methyl-1-(thiophen-3-yl)butan-2-ol

Structural Information

Molecular Formula
C9H14OS
SMILES
CC(C)C(CC1=CSC=C1)O
InChI
InChI=1S/C9H14OS/c1-7(2)9(10)5-8-3-4-11-6-8/h3-4,6-7,9-10H,5H2,1-2H3
InChIKey
LFGRFMUSEKTIBN-UHFFFAOYSA-N
Compound name
3-methyl-1-thiophen-3-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.07654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08382 137.9
[M+Na]+ 193.06576 147.5
[M+NH4]+ 188.11036 147.0
[M+K]+ 209.03970 142.0
[M-H]- 169.06926 139.2
[M+Na-2H]- 191.05121 142.0
[M]+ 170.07599 140.0
[M]- 170.07709 140.0
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

No patent data available for this compound.