CID 43366936

5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine

Structural Information

Molecular Formula
C13H16F3NO
SMILES
CC1(COC(CN1)C2=CC(=CC=C2)C(F)(F)F)C
InChI
InChI=1S/C13H16F3NO/c1-12(2)8-18-11(7-17-12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKey
YBCKMFNWWPEEIS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1184 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.125676 157.2
[M+Na]+ 282.107618 164.4
[M-H]- 258.111124 157.7
[M+NH4]+ 277.152223 172.7
[M+K]+ 298.081558 161.3
[M+H-H2O]+ 242.115660 147.9
[M+HCOO]- 304.116601 169.3
[M+CH3COO]- 318.132251 191.9
[M+Na-2H]- 280.093066 161.7
[M]+ 259.11785142 149.4
[M]- 259.11894858 149.4
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.