CID 112640

63302-75-0

Structural Information

Molecular Formula
C27H50
SMILES
CC(CC(C)(CC(C)(C)C1CCCCC1)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C27H50/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h22-25H,5-21H2,1-4H3
InChIKey
KVXHICLGXOIJMS-UHFFFAOYSA-N
Compound name
(2,6-dicyclohexyl-2,4-dimethylheptan-4-yl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

374.39127 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.39855 200.3
[M+Na]+ 397.38049 193.8
[M-H]- 373.38399 204.6
[M+NH4]+ 392.42509 210.6
[M+K]+ 413.35443 189.6
[M+H-H2O]+ 357.38853 191.2
[M+HCOO]- 419.38947 204.4
[M+CH3COO]- 433.40512 221.8
[M+Na-2H]- 395.36594 195.3
[M]+ 374.39072 186.7
[M]- 374.39182 186.7
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

patents stripe