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]+ 284.20088 170.7
[M+Na]+ 306.18282 172.6
[M-H]- 282.18632 176.6
[M+NH4]+ 301.22742 184.0
[M+K]+ 322.15676 167.2
[M+H-H2O]+ 266.19086 160.6
[M+HCOO]- 328.19180 185.2
[M+CH3COO]- 342.20745 179.2
[M+Na-2H]- 304.16827 170.8
[M]+ 283.19305 161.2
[M]- 283.19415 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.