CID 142555

1,3-dicyclohexylbutane

Structural Information

Molecular Formula
C16H30
SMILES
CC(CCC1CCCCC1)C2CCCCC2
InChI
InChI=1S/C16H30/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h14-16H,2-13H2,1H3
InChIKey
QYUDFQUDLLTCAA-UHFFFAOYSA-N
Compound name
4-cyclohexylbutan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

222.23476 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.242036 159.4
[M+Na]+ 245.223978 158.5
[M-H]- 221.227484 163.1
[M+NH4]+ 240.268583 176.6
[M+K]+ 261.197918 155.9
[M+H-H2O]+ 205.232020 151.8
[M+HCOO]- 267.232961 173.3
[M+CH3COO]- 281.248611 191.2
[M+Na-2H]- 243.209426 158.8
[M]+ 222.23421142 149.7
[M]- 222.23530858 149.7
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