CID 12249382

(4-methylcyclohexyl)-benzene

Structural Information

Molecular Formula
C13H18
SMILES
CC1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C13H18/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKey
NZIYCOOLMANTHT-UHFFFAOYSA-N
Compound name
(4-methylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1298
Patents

174.14085 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 139.2
[M+Na]+ 197.13007 144.1
[M-H]- 173.13357 145.1
[M+NH4]+ 192.17467 159.2
[M+K]+ 213.10401 141.2
[M+H-H2O]+ 157.13811 132.5
[M+HCOO]- 219.13905 159.7
[M+CH3COO]- 233.15470 181.3
[M+Na-2H]- 195.11552 144.2
[M]+ 174.14030 134.0
[M]- 174.14140 134.0
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