CID 43177261

(2-methoxyethyl)({1-[3-(trifluoromethyl)phenyl]ethyl})amine

Structural Information

Molecular Formula
C12H16F3NO
SMILES
CC(C1=CC(=CC=C1)C(F)(F)F)NCCOC
InChI
InChI=1S/C12H16F3NO/c1-9(16-6-7-17-2)10-4-3-5-11(8-10)12(13,14)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKey
MMSRMJPVYUOYDN-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.1184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12568 157.8
[M+Na]+ 270.10762 165.6
[M+NH4]+ 265.15222 163.1
[M+K]+ 286.08156 160.3
[M-H]- 246.11112 155.1
[M+Na-2H]- 268.09307 161.4
[M]+ 247.11785 157.8
[M]- 247.11895 157.8
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.