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

528
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

literature stripe

Patent stripe

patents stripe