CID 18724321

129738-42-7

Structural Information

Molecular Formula
C23H34
SMILES
CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)CCC=C
InChI
InChI=1S/C23H34/c1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20/h3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3
InChIKey
OXPUOKDPOMJNKA-UHFFFAOYSA-N
Compound name
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

310.26605 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.27333 180.8
[M+Na]+ 333.25527 181.6
[M-H]- 309.25877 187.8
[M+NH4]+ 328.29987 194.8
[M+K]+ 349.22921 175.5
[M+H-H2O]+ 293.26331 171.5
[M+HCOO]- 355.26425 194.9
[M+CH3COO]- 369.27990 209.6
[M+Na-2H]- 331.24072 178.0
[M]+ 310.26550 171.9
[M]- 310.26660 171.9
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