CID 379189

Nsc663597

Structural Information

Molecular Formula
C16H21NO
SMILES
CC1(CCCN(C1=O)CC2=CC=CC=C2)CC=C
InChI
InChI=1S/C16H21NO/c1-3-10-16(2)11-7-12-17(15(16)18)13-14-8-5-4-6-9-14/h3-6,8-9H,1,7,10-13H2,2H3
InChIKey
QNFIOOXROPFZMQ-UHFFFAOYSA-N
Compound name
1-benzyl-3-methyl-3-prop-2-enylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.169586 157.8
[M+Na]+ 266.151528 163.9
[M-H]- 242.155034 162.4
[M+NH4]+ 261.196133 175.7
[M+K]+ 282.125468 159.7
[M+H-H2O]+ 226.159570 150.0
[M+HCOO]- 288.160511 176.5
[M+CH3COO]- 302.176161 193.8
[M+Na-2H]- 264.136976 161.5
[M]+ 243.16176142 154.9
[M]- 243.16285858 154.9
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.