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]+ 260.12568 157.2
[M+Na]+ 282.10762 164.4
[M-H]- 258.11112 157.7
[M+NH4]+ 277.15222 172.7
[M+K]+ 298.08156 161.3
[M+H-H2O]+ 242.11566 147.9
[M+HCOO]- 304.11660 169.3
[M+CH3COO]- 318.13225 191.9
[M+Na-2H]- 280.09307 161.7
[M]+ 259.11785 149.4
[M]- 259.11895 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.