CID 18605178

4bch3p

Structural Information

Molecular Formula
C25H40
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)CCC
InChI
InChI=1S/C25H40/c1-3-5-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(6-4-2)9-13-22/h8-9,12-13,21,23-25H,3-7,10-11,14-19H2,1-2H3
InChIKey
YZNNEWSMAVSIND-UHFFFAOYSA-N
Compound name
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

340.313 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.32028 190.9
[M+Na]+ 363.30222 190.6
[M-H]- 339.30572 197.4
[M+NH4]+ 358.34682 203.7
[M+K]+ 379.27616 184.6
[M+H-H2O]+ 323.31026 181.1
[M+HCOO]- 385.31120 204.1
[M+CH3COO]- 399.32685 216.3
[M+Na-2H]- 361.28767 187.0
[M]+ 340.31245 183.4
[M]- 340.31355 183.4
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