CID 23035627

1-(trans-4-heptylcyclohexyl)-4-methylbenzene

Structural Information

Molecular Formula
C20H32
SMILES
CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C
InChI
InChI=1S/C20H32/c1-3-4-5-6-7-8-18-11-15-20(16-12-18)19-13-9-17(2)10-14-19/h9-10,13-14,18,20H,3-8,11-12,15-16H2,1-2H3
InChIKey
NHFGEAXYIFCZSY-UHFFFAOYSA-N
Compound name
1-(4-heptylcyclohexyl)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

272.2504 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 171.0
[M+Na]+ 295.239618 173.7
[M-H]- 271.243124 175.7
[M+NH4]+ 290.284223 187.2
[M+K]+ 311.213558 169.0
[M+H-H2O]+ 255.247660 163.0
[M+HCOO]- 317.248601 189.0
[M+CH3COO]- 331.264251 203.4
[M+Na-2H]- 293.225066 171.3
[M]+ 272.24985142 168.5
[M]- 272.25094858 168.5
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