CID 543958

1,1'-bicyclohexyl, 4-methyl-4'-propyl-

Structural Information

Molecular Formula
C16H30
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C
InChI
InChI=1S/C16H30/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h13-16H,3-12H2,1-2H3
InChIKey
GXLOSSKAKQGKJC-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

222.23476 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.24204 158.3
[M+Na]+ 245.22398 159.7
[M-H]- 221.22748 162.8
[M+NH4]+ 240.26858 176.3
[M+K]+ 261.19792 156.6
[M+H-H2O]+ 205.23202 151.2
[M+HCOO]- 267.23296 173.2
[M+CH3COO]- 281.24861 192.6
[M+Na-2H]- 243.20943 157.7
[M]+ 222.23421 150.1
[M]- 222.23531 150.1
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.