CID 5702470

Ccg-51108

Structural Information

Molecular Formula
C17H20O
SMILES
C1CCC(CC1)/C=C/2\CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H20O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h4-5,8-9,12-13H,1-3,6-7,10-11H2/b15-12+
InChIKey
RGQLXQCDOGHGGP-NTCAYCPXSA-N
Compound name
(2E)-2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.15141 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15869 155.9
[M+Na]+ 263.14063 159.9
[M-H]- 239.14413 161.8
[M+NH4]+ 258.18523 173.9
[M+K]+ 279.11457 154.9
[M+H-H2O]+ 223.14867 148.2
[M+HCOO]- 285.14961 172.4
[M+CH3COO]- 299.16526 166.5
[M+Na-2H]- 261.12608 158.9
[M]+ 240.15086 148.1
[M]- 240.15196 148.1
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

No patent data available for this compound.