CID 6447866

2,6-dimethyl-1-(4-trifluoromethylcinnamoyl)piperidine

Structural Information

Molecular Formula
C17H20F3NO
SMILES
CC1CCCC(N1C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F)C
InChI
InChI=1S/C17H20F3NO/c1-12-4-3-5-13(2)21(12)16(22)11-8-14-6-9-15(10-7-14)17(18,19)20/h6-13H,3-5H2,1-2H3/b11-8+
InChIKey
ZJQBYYSYRCUAFT-DHZHZOJOSA-N
Compound name
(E)-1-(2,6-dimethylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.1497 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15698 172.5
[M+Na]+ 334.13892 178.7
[M-H]- 310.14242 173.2
[M+NH4]+ 329.18352 186.0
[M+K]+ 350.11286 173.5
[M+H-H2O]+ 294.14696 162.1
[M+HCOO]- 356.14790 185.0
[M+CH3COO]- 370.16355 205.9
[M+Na-2H]- 332.12437 171.6
[M]+ 311.14915 165.3
[M]- 311.15025 165.3
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