CID 6435636

N-cyclopropyl-alpha-methyl-m-trifluoromethylcinnamamide

Structural Information

Molecular Formula
C14H14F3NO
SMILES
C/C(=C\C1=CC(=CC=C1)C(F)(F)F)/C(=O)NC2CC2
InChI
InChI=1S/C14H14F3NO/c1-9(13(19)18-12-5-6-12)7-10-3-2-4-11(8-10)14(15,16)17/h2-4,7-8,12H,5-6H2,1H3,(H,18,19)/b9-7+
InChIKey
OLBQUZGBNROCKL-VQHVLOKHSA-N
Compound name
(E)-N-cyclopropyl-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.10275 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11003 150.2
[M+Na]+ 292.09197 158.1
[M-H]- 268.09547 153.7
[M+NH4]+ 287.13657 161.6
[M+K]+ 308.06591 153.3
[M+H-H2O]+ 252.10001 141.0
[M+HCOO]- 314.10095 168.9
[M+CH3COO]- 328.11660 201.8
[M+Na-2H]- 290.07742 153.1
[M]+ 269.10220 147.6
[M]- 269.10330 147.6
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.