CID 13229

Cyclohexylbenzene

Structural Information

Molecular Formula
C12H16
SMILES
C1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
IGARGHRYKHJQSM-UHFFFAOYSA-N
Compound name
cyclohexylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

55
References

55261
Patents

160.1252 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 136.8
[M+Na]+ 183.11442 150.6
[M+NH4]+ 178.15902 147.8
[M+K]+ 199.08836 141.8
[M-H]- 159.11792 142.6
[M+Na-2H]- 181.09987 146.5
[M]+ 160.12465 140.5
[M]- 160.12575 140.5
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