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]+ 272.200876 168.3
[M+Na]+ 294.182818 171.1
[M-H]- 270.186324 171.9
[M+NH4]+ 289.227423 182.7
[M+K]+ 310.156758 167.1
[M+H-H2O]+ 254.190860 159.6
[M+HCOO]- 316.191801 184.3
[M+CH3COO]- 330.207451 199.6
[M+Na-2H]- 292.168266 168.1
[M]+ 271.19305142 163.9
[M]- 271.19414858 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.