CID 5716415

Nsc669735

Structural Information

Molecular Formula
C19H25NO
SMILES
C1CCN(CC1)CC2CCC/C(=C/C3=CC=CC=C3)/C2=O
InChI
InChI=1S/C19H25NO/c21-19-17(14-16-8-3-1-4-9-16)10-7-11-18(19)15-20-12-5-2-6-13-20/h1,3-4,8-9,14,18H,2,5-7,10-13,15H2/b17-14-
InChIKey
XFSQEKDTPJNBEF-VKAVYKQESA-N
Compound name
(2Z)-2-benzylidene-6-(piperidin-1-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.200876 170.7
[M+Na]+ 306.182818 172.6
[M-H]- 282.186324 176.6
[M+NH4]+ 301.227423 184.0
[M+K]+ 322.156758 167.2
[M+H-H2O]+ 266.190860 160.6
[M+HCOO]- 328.191801 185.2
[M+CH3COO]- 342.207451 179.2
[M+Na-2H]- 304.168266 170.8
[M]+ 283.19305142 161.2
[M]- 283.19414858 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.