CID 6447497

Brn 4438464

Structural Information

Molecular Formula
C15H18ClNO
SMILES
C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)N2CCCCC2
InChI
InChI=1S/C15H18ClNO/c1-12(11-13-5-7-14(16)8-6-13)15(18)17-9-3-2-4-10-17/h5-8,11H,2-4,9-10H2,1H3/b12-11+
InChIKey
JHRPZVXIODZJSW-VAWYXSNFSA-N
Compound name
(E)-3-(4-chlorophenyl)-2-methyl-1-piperidin-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 160.8
[M+Na]+ 286.09692 165.8
[M-H]- 262.10042 164.8
[M+NH4]+ 281.14152 176.4
[M+K]+ 302.07086 160.6
[M+H-H2O]+ 246.10496 153.3
[M+HCOO]- 308.10590 173.3
[M+CH3COO]- 322.12155 194.3
[M+Na-2H]- 284.08237 161.8
[M]+ 263.10715 157.6
[M]- 263.10825 157.6
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.