CID 69467

2-thiophenemethanol

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

5
References

4130
Patents

114.01394 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.021216 119.3
[M+Na]+ 137.003158 128.4
[M-H]- 113.006664 122.3
[M+NH4]+ 132.047763 143.8
[M+K]+ 152.977098 126.6
[M+H-H2O]+ 97.011200 114.9
[M+HCOO]- 159.012141 139.4
[M+CH3COO]- 173.027791 162.7
[M+Na-2H]- 134.988606 123.2
[M]+ 114.01339142 120.4
[M]- 114.01448858 120.4
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