CID 22901911

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

Structural Information

Molecular Formula
C7H10OS
SMILES
CC(CC1=CSC=C1)O
InChI
InChI=1S/C7H10OS/c1-6(8)4-7-2-3-9-5-7/h2-3,5-6,8H,4H2,1H3
InChIKey
TZNKFBAAGCSCIX-UHFFFAOYSA-N
Compound name
1-thiophen-3-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 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

No literature data available for this compound.

Patent stripe

patents stripe