CID 13566813

1-(thiophen-2-yl)propan-1-ol

Structural Information

Molecular Formula
C7H10OS
SMILES
CCC(C1=CC=CS1)O
InChI
InChI=1S/C7H10OS/c1-2-6(8)7-4-3-5-9-7/h3-6,8H,2H2,1H3
InChIKey
UEGBPBSUXLGTNF-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

142.04524 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 129.1
[M+Na]+ 165.03446 137.0
[M-H]- 141.03796 131.8
[M+NH4]+ 160.07906 152.4
[M+K]+ 181.00840 135.1
[M+H-H2O]+ 125.04250 124.4
[M+HCOO]- 187.04344 147.4
[M+CH3COO]- 201.05909 169.5
[M+Na-2H]- 163.01991 130.8
[M]+ 142.04469 130.2
[M]- 142.04579 130.2
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