CID 6447864

2-methyl-1-(4-trifluoromethylcinnamoyl)piperidine

Structural Information

Molecular Formula
C16H18F3NO
SMILES
CC1CCCCN1C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C16H18F3NO/c1-12-4-2-3-11-20(12)15(21)10-7-13-5-8-14(9-6-13)16(17,18)19/h5-10,12H,2-4,11H2,1H3/b10-7+
InChIKey
XIVJYIVQHVLTFZ-JXMROGBWSA-N
Compound name
(E)-1-(2-methylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

297.13406 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14134 168.3
[M+Na]+ 320.12328 174.0
[M-H]- 296.12678 168.7
[M+NH4]+ 315.16788 182.0
[M+K]+ 336.09722 169.0
[M+H-H2O]+ 280.13132 157.8
[M+HCOO]- 342.13226 181.2
[M+CH3COO]- 356.14791 201.7
[M+Na-2H]- 318.10873 168.6
[M]+ 297.13351 160.3
[M]- 297.13461 160.3
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