CID 522382

1,3-diisopropylcyclohexane

Structural Information

Molecular Formula
C12H24
SMILES
CC(C)C1CCCC(C1)C(C)C
InChI
InChI=1S/C12H24/c1-9(2)11-6-5-7-12(8-11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKey
WDTCMYUFBNCSKK-UHFFFAOYSA-N
Compound name
1,3-di(propan-2-yl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

535
Patents

168.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.19508 142.9
[M+Na]+ 191.17702 146.4
[M-H]- 167.18052 145.4
[M+NH4]+ 186.22162 163.5
[M+K]+ 207.15096 145.5
[M+H-H2O]+ 151.18506 137.5
[M+HCOO]- 213.18600 160.1
[M+CH3COO]- 227.20165 184.5
[M+Na-2H]- 189.16247 143.4
[M]+ 168.18725 138.7
[M]- 168.18835 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.