CID 14001706

2,3-thiophenedimethanol

Structural Information

Molecular Formula
C6H8O2S
SMILES
C1=CSC(=C1CO)CO
InChI
InChI=1S/C6H8O2S/c7-3-5-1-2-9-6(5)4-8/h1-2,7-8H,3-4H2
InChIKey
SUVOAAWORTVNEP-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)thiophen-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

144.0245 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.031776 127.1
[M+Na]+ 167.013718 136.0
[M-H]- 143.017224 128.8
[M+NH4]+ 162.058323 149.8
[M+K]+ 182.987658 133.3
[M+H-H2O]+ 127.021760 122.8
[M+HCOO]- 189.022701 145.5
[M+CH3COO]- 203.038351 166.1
[M+Na-2H]- 164.999166 129.5
[M]+ 144.02395142 128.4
[M]- 144.02504858 128.4
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