CID 57525090

Jpfdyodechjokg-uhfffaoysa-n

Structural Information

Molecular Formula
C21H34
SMILES
CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)CC
InChI
InChI=1S/C21H34/c1-3-5-6-7-8-9-19-12-16-21(17-13-19)20-14-10-18(4-2)11-15-20/h10-11,14-15,19,21H,3-9,12-13,16-17H2,1-2H3
InChIKey
JPFDYODECHJOKG-UHFFFAOYSA-N
Compound name
1-ethyl-4-(4-heptylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.26605 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.273326 175.5
[M+Na]+ 309.255268 177.8
[M-H]- 285.258774 180.1
[M+NH4]+ 304.299873 191.2
[M+K]+ 325.229208 172.9
[M+H-H2O]+ 269.263310 167.3
[M+HCOO]- 331.264251 193.1
[M+CH3COO]- 345.279901 206.4
[M+Na-2H]- 307.240716 175.2
[M]+ 286.26550142 173.4
[M]- 286.26659858 173.4
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

No patent data available for this compound.