CID 19850420

Me2bch

Structural Information

Molecular Formula
C15H28
SMILES
CCC1CCC(CC1)C2CCC(CC2)C
InChI
InChI=1S/C15H28/c1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14/h12-15H,3-11H2,1-2H3
InChIKey
HHMLDALYCMCYTD-UHFFFAOYSA-N
Compound name
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

208.2191 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.22638 153.8
[M+Na]+ 231.20832 155.6
[M-H]- 207.21182 158.5
[M+NH4]+ 226.25292 172.4
[M+K]+ 247.18226 152.8
[M+H-H2O]+ 191.21636 146.8
[M+HCOO]- 253.21730 169.1
[M+CH3COO]- 267.23295 189.5
[M+Na-2H]- 229.19377 153.7
[M]+ 208.21855 145.2
[M]- 208.21965 145.2
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