CID 76440

1-cyclohexylnaphthalene

Structural Information

Molecular Formula
C16H18
SMILES
C1CCC(CC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H18/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h4-6,9-13H,1-3,7-8H2
InChIKey
RAYZALBEMJMGEA-UHFFFAOYSA-N
Compound name
1-cyclohexylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1929
Patents

210.14085 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 147.1
[M+Na]+ 233.13007 152.1
[M-H]- 209.13357 153.5
[M+NH4]+ 228.17467 166.3
[M+K]+ 249.10401 147.5
[M+H-H2O]+ 193.13811 139.5
[M+HCOO]- 255.13905 166.3
[M+CH3COO]- 269.15470 158.9
[M+Na-2H]- 231.11552 153.4
[M]+ 210.14030 141.5
[M]- 210.14140 141.5
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