CID 107204

1,3-cyclohexanedimethanol

Structural Information

Molecular Formula
C8H16O2
SMILES
C1CC(CC(C1)CO)CO
InChI
InChI=1S/C8H16O2/c9-5-7-2-1-3-8(4-7)6-10/h7-10H,1-6H2
InChIKey
LUSFFPXRDZKBMF-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

23236
Patents

144.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 132.4
[M+Na]+ 167.104258 137.2
[M-H]- 143.107764 132.6
[M+NH4]+ 162.148863 152.5
[M+K]+ 183.078198 135.4
[M+H-H2O]+ 127.112300 127.6
[M+HCOO]- 189.113241 150.3
[M+CH3COO]- 203.128891 169.3
[M+Na-2H]- 165.089706 136.4
[M]+ 144.11449142 127.1
[M]- 144.11558858 127.1
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