CID 144413

(2,6-dimethylcyclohexyl)methanol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1CCCC(C1CO)C
InChI
InChI=1S/C9H18O/c1-7-4-3-5-8(2)9(7)6-10/h7-10H,3-6H2,1-2H3
InChIKey
PYXCSABYHVRYEK-UHFFFAOYSA-N
Compound name
(2,6-dimethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

142.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 131.9
[M+Na]+ 165.12499 143.0
[M+NH4]+ 160.16959 141.2
[M+K]+ 181.09893 136.7
[M-H]- 141.12849 134.0
[M+Na-2H]- 163.11044 136.6
[M]+ 142.13522 134.0
[M]- 142.13632 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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