CID 5736781

105919-39-9

Structural Information

Molecular Formula
C15H18ClNO
SMILES
CC1CCCCN1C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H18ClNO/c1-12-4-2-3-11-17(12)15(18)10-7-13-5-8-14(16)9-6-13/h5-10,12H,2-4,11H2,1H3/b10-7+
InChIKey
STUCBNRKSRALGB-JXMROGBWSA-N
Compound name
(E)-3-(4-chlorophenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.1077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11498 160.9
[M+Na]+ 286.09692 167.1
[M-H]- 262.10042 165.2
[M+NH4]+ 281.14152 176.9
[M+K]+ 302.07086 161.5
[M+H-H2O]+ 246.10496 153.5
[M+HCOO]- 308.10590 174.3
[M+CH3COO]- 322.12155 194.6
[M+Na-2H]- 284.08237 162.3
[M]+ 263.10715 158.7
[M]- 263.10825 158.7
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

patents stripe