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]+ 248.125676 153.7
[M+Na]+ 270.107618 160.2
[M-H]- 246.111124 153.1
[M+NH4]+ 265.152223 170.8
[M+K]+ 286.081558 157.6
[M+H-H2O]+ 230.115660 144.9
[M+HCOO]- 292.116601 172.7
[M+CH3COO]- 306.132251 197.2
[M+Na-2H]- 268.093066 157.4
[M]+ 247.11785142 150.9
[M]- 247.11894858 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.