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
3
Annotation Hits

0
References

449
Patents

142.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 132.4
[M+Na]+ 165.124988 138.2
[M-H]- 141.128494 134.3
[M+NH4]+ 160.169593 153.7
[M+K]+ 181.098928 136.7
[M+H-H2O]+ 125.133030 127.7
[M+HCOO]- 187.133971 151.3
[M+CH3COO]- 201.149621 174.1
[M+Na-2H]- 163.110436 135.8
[M]+ 142.13522142 128.3
[M]- 142.13631858 128.3
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