CID 13609013

(4-ethylcyclohexyl)benzene

Structural Information

Molecular Formula
C14H20
SMILES
CCC1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C14H20/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKey
ZTKUBRNOEZWDJN-UHFFFAOYSA-N
Compound name
(4-ethylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

188.1565 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 143.9
[M+Na]+ 211.145718 148.3
[M-H]- 187.149224 149.5
[M+NH4]+ 206.190323 163.3
[M+K]+ 227.119658 145.1
[M+H-H2O]+ 171.153760 136.9
[M+HCOO]- 233.154701 164.0
[M+CH3COO]- 247.170351 184.3
[M+Na-2H]- 209.131166 148.3
[M]+ 188.15595142 139.0
[M]- 188.15704858 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe