CID 544185

Cyclohexane, 1-methyl-4-(1-methylbutyl)-

Structural Information

Molecular Formula
C12H24
SMILES
CCCC(C)C1CCC(CC1)C
InChI
InChI=1S/C12H24/c1-4-5-11(3)12-8-6-10(2)7-9-12/h10-12H,4-9H2,1-3H3
InChIKey
HAYJDNGTQSBRDR-UHFFFAOYSA-N
Compound name
1-methyl-4-pentan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

168.1878 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.195076 143.0
[M+Na]+ 191.177018 146.7
[M-H]- 167.180524 145.4
[M+NH4]+ 186.221623 163.6
[M+K]+ 207.150958 145.3
[M+H-H2O]+ 151.185060 137.4
[M+HCOO]- 213.186001 161.2
[M+CH3COO]- 227.201651 183.6
[M+Na-2H]- 189.162466 144.7
[M]+ 168.18725142 139.4
[M]- 168.18834858 139.4
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