CID 14178056

5bch3p

Structural Information

Molecular Formula
C26H42
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)CCC
InChI
InChI=1S/C26H42/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h9-10,13-14,22,24-26H,3-8,11-12,15-20H2,1-2H3
InChIKey
AUFYAYYQBQFBFD-UHFFFAOYSA-N
Compound name
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

354.32864 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.33592 195.3
[M+Na]+ 377.31786 194.5
[M-H]- 353.32136 201.6
[M+NH4]+ 372.36246 207.5
[M+K]+ 393.29180 188.3
[M+H-H2O]+ 337.32590 185.3
[M+HCOO]- 399.32684 208.1
[M+CH3COO]- 413.34249 219.2
[M+Na-2H]- 375.30331 190.8
[M]+ 354.32809 188.1
[M]- 354.32919 188.1
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

patents stripe