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]+ 244.16959 157.8
[M+Na]+ 266.15153 163.9
[M-H]- 242.15503 162.4
[M+NH4]+ 261.19613 175.7
[M+K]+ 282.12547 159.7
[M+H-H2O]+ 226.15957 150.0
[M+HCOO]- 288.16051 176.5
[M+CH3COO]- 302.17616 193.8
[M+Na-2H]- 264.13698 161.5
[M]+ 243.16176 154.9
[M]- 243.16286 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.