CID 109418

(2,4-dimethylcyclohexyl)methanol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1CCC(C(C1)C)CO
InChI
InChI=1S/C9H18O/c1-7-3-4-9(6-10)8(2)5-7/h7-10H,3-6H2,1-2H3
InChIKey
DGEPZINOUXMMAS-UHFFFAOYSA-N
Compound name
(2,4-dimethylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

412
Patents

142.13577 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

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