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

43
Patents

142.04524 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.052516 129.1
[M+Na]+ 165.034458 137.0
[M-H]- 141.037964 131.8
[M+NH4]+ 160.079063 152.4
[M+K]+ 181.008398 135.1
[M+H-H2O]+ 125.042500 124.4
[M+HCOO]- 187.043441 147.4
[M+CH3COO]- 201.059091 169.5
[M+Na-2H]- 163.019906 130.8
[M]+ 142.04469142 130.2
[M]- 142.04578858 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