CID 123570

3-thiophenemethanol

Structural Information

Molecular Formula
C5H6OS
SMILES
C1=CSC=C1CO
InChI
InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChIKey
BOWIFWCBNWWZOG-UHFFFAOYSA-N
Compound name
thiophen-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1588
Patents

114.01394 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.02122 119.9
[M+Na]+ 137.00316 131.0
[M+NH4]+ 132.04776 129.8
[M+K]+ 152.97710 124.8
[M-H]- 113.00666 121.7
[M+Na-2H]- 134.98861 125.6
[M]+ 114.01339 122.4
[M]- 114.01449 122.4
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