CID 78257

4-cyclohexyl-o-xylene

Structural Information

Molecular Formula
C14H20
SMILES
CC1=C(C=C(C=C1)C2CCCCC2)C
InChI
InChI=1S/C14H20/c1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKey
RIFYDCDZQDTMDB-UHFFFAOYSA-N
Compound name
4-cyclohexyl-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

188.1565 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.16378 143.3
[M+Na]+ 211.14572 148.8
[M-H]- 187.14922 149.4
[M+NH4]+ 206.19032 163.1
[M+K]+ 227.11966 145.6
[M+H-H2O]+ 171.15376 136.7
[M+HCOO]- 233.15470 163.5
[M+CH3COO]- 247.17035 185.4
[M+Na-2H]- 209.13117 147.1
[M]+ 188.15595 138.9
[M]- 188.15705 138.9
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