CID 213529

4-allyl-2-(alpha,alpha,alpha-trifluoro-m-tolyl)morpholine hydrochloride

Structural Information

Molecular Formula
C14H16F3NO
SMILES
C=CCN1CCOC(C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C14H16F3NO/c1-2-6-18-7-8-19-13(10-18)11-4-3-5-12(9-11)14(15,16)17/h2-5,9,13H,1,6-8,10H2
InChIKey
UHUCVPRXRTVYLJ-UHFFFAOYSA-N
Compound name
4-prop-2-enyl-2-[3-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12568 160.8
[M+Na]+ 294.10762 167.4
[M-H]- 270.11112 162.1
[M+NH4]+ 289.15222 174.3
[M+K]+ 310.08156 163.9
[M+H-H2O]+ 254.11566 150.4
[M+HCOO]- 316.11660 174.2
[M+CH3COO]- 330.13225 197.0
[M+Na-2H]- 292.09307 164.0
[M]+ 271.11785 154.2
[M]- 271.11895 154.2
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

No patent data available for this compound.