CID 6116364

3-(4-isobutylphenyl)-1-piperidino-2-propen-1-one

Structural Information

Molecular Formula
C18H25NO
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)N2CCCCC2
InChI
InChI=1S/C18H25NO/c1-15(2)14-17-8-6-16(7-9-17)10-11-18(20)19-12-4-3-5-13-19/h6-11,15H,3-5,12-14H2,1-2H3/b11-10+
InChIKey
MTEXCGYPBCMAQA-ZHACJKMWSA-N
Compound name
(E)-3-[4-(2-methylpropyl)phenyl]-1-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

271.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 168.3
[M+Na]+ 294.18282 171.1
[M-H]- 270.18632 171.9
[M+NH4]+ 289.22742 182.7
[M+K]+ 310.15676 167.1
[M+H-H2O]+ 254.19086 159.6
[M+HCOO]- 316.19180 184.3
[M+CH3COO]- 330.20745 199.6
[M+Na-2H]- 292.16827 168.1
[M]+ 271.19305 163.9
[M]- 271.19415 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.