CID 174293

Benzene, 1-ethyl-4-(4-propylcyclohexyl)-, trans-

Structural Information

Molecular Formula
C17H26
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)CC
InChI
InChI=1S/C17H26/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3
InChIKey
OYOBZVHPZUVLSF-UHFFFAOYSA-N
Compound name
1-ethyl-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

271
Patents

230.20345 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.21073 157.2
[M+Na]+ 253.19267 161.3
[M-H]- 229.19617 162.7
[M+NH4]+ 248.23727 175.3
[M+K]+ 269.16661 157.4
[M+H-H2O]+ 213.20071 149.9
[M+HCOO]- 275.20165 176.3
[M+CH3COO]- 289.21730 194.4
[M+Na-2H]- 251.17812 159.2
[M]+ 230.20290 153.8
[M]- 230.20400 153.8
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