CID 251259

1-(hydroxymethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
C1CCC(CC1)(CO)O
InChI
InChI=1S/C7H14O2/c8-6-7(9)4-2-1-3-5-7/h8-9H,1-6H2
InChIKey
BGZGQDDKQNYZID-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

630
Patents

130.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.6
[M+Na]+ 153.08860 133.8
[M-H]- 129.09210 129.0
[M+NH4]+ 148.13320 150.9
[M+K]+ 169.06254 132.4
[M+H-H2O]+ 113.09664 124.6
[M+HCOO]- 175.09758 146.9
[M+CH3COO]- 189.11323 164.7
[M+Na-2H]- 151.07405 134.9
[M]+ 130.09883 122.9
[M]- 130.09993 122.9
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