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
4
Annotation Hits

55
References

67119
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 135.0
[M+Na]+ 183.11442 139.4
[M-H]- 159.11792 140.6
[M+NH4]+ 178.15902 155.2
[M+K]+ 199.08836 136.7
[M+H-H2O]+ 143.12246 128.3
[M+HCOO]- 205.12340 155.8
[M+CH3COO]- 219.13905 147.6
[M+Na-2H]- 181.09987 141.2
[M]+ 160.12465 129.0
[M]- 160.12575 129.0
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