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 153.7
[M+Na]+ 270.10762 160.2
[M-H]- 246.11112 153.1
[M+NH4]+ 265.15222 170.8
[M+K]+ 286.08156 157.6
[M+H-H2O]+ 230.11566 144.9
[M+HCOO]- 292.11660 172.7
[M+CH3COO]- 306.13225 197.2
[M+Na-2H]- 268.09307 157.4
[M]+ 247.11785 150.9
[M]- 247.11895 150.9
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.