CID 13109866

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

Structural Information

Molecular Formula
C7H10OS
SMILES
C1=CSC(=C1)CCCO
InChI
InChI=1S/C7H10OS/c8-5-1-3-7-4-2-6-9-7/h2,4,6,8H,1,3,5H2
InChIKey
BQFZLZCBCSKUPL-UHFFFAOYSA-N
Compound name
3-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

444
Patents

142.04524 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05252 128.3
[M+Na]+ 165.03446 136.6
[M-H]- 141.03796 131.0
[M+NH4]+ 160.07906 151.7
[M+K]+ 181.00840 134.2
[M+H-H2O]+ 125.04250 123.6
[M+HCOO]- 187.04344 147.8
[M+CH3COO]- 201.05909 168.7
[M+Na-2H]- 163.01991 131.2
[M]+ 142.04469 130.1
[M]- 142.04579 130.1
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