CID 297054

Nsc167751

Structural Information

Molecular Formula
C17H23NO
SMILES
CCC(=O)C1(CCN(CC1)CC=C)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO/c1-3-12-18-13-10-17(11-14-18,16(19)4-2)15-8-6-5-7-9-15/h3,5-9H,1,4,10-14H2,2H3
InChIKey
DXIASZFMOKASBM-UHFFFAOYSA-N
Compound name
1-(4-phenyl-1-prop-2-enylpiperidin-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 163.0
[M+Na]+ 280.16720 167.4
[M-H]- 256.17070 167.1
[M+NH4]+ 275.21180 180.0
[M+K]+ 296.14114 163.4
[M+H-H2O]+ 240.17524 155.0
[M+HCOO]- 302.17618 180.4
[M+CH3COO]- 316.19183 196.5
[M+Na-2H]- 278.15265 165.6
[M]+ 257.17743 159.4
[M]- 257.17853 159.4
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.