CID 2724019

15753-50-1

Structural Information

Molecular Formula
C8H16O2
SMILES
C1CC[C@H]([C@H](C1)CO)CO
InChI
InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8+
InChIKey
XDODWINGEHBYRT-OCAPTIKFSA-N
Compound name
[(1S,2R)-2-(hydroxymethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

722
Patents

144.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 132.4
[M+Na]+ 167.10426 137.2
[M-H]- 143.10776 132.6
[M+NH4]+ 162.14886 152.5
[M+K]+ 183.07820 135.4
[M+H-H2O]+ 127.11230 127.6
[M+HCOO]- 189.11324 150.3
[M+CH3COO]- 203.12889 169.3
[M+Na-2H]- 165.08971 136.4
[M]+ 144.11449 127.1
[M]- 144.11559 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