CID 6447865

3-methyl-4-(4-trifluoromethylcinnamoyl)morpholine

Structural Information

Molecular Formula
C15H16F3NO2
SMILES
CC1COCCN1C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H16F3NO2/c1-11-10-21-9-8-19(11)14(20)7-4-12-2-5-13(6-3-12)15(16,17)18/h2-7,11H,8-10H2,1H3/b7-4+
InChIKey
HZBAVHZJJXBOCE-QPJJXVBHSA-N
Compound name
(E)-1-(3-methylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.1133 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12058 167.5
[M+Na]+ 322.10252 173.7
[M-H]- 298.10602 168.8
[M+NH4]+ 317.14712 179.8
[M+K]+ 338.07646 170.4
[M+H-H2O]+ 282.11056 157.0
[M+HCOO]- 344.11150 180.0
[M+CH3COO]- 358.12715 200.8
[M+Na-2H]- 320.08797 169.1
[M]+ 299.11275 161.2
[M]- 299.11385 161.2
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