CID 57162722

Methoxy({1-[3-(trifluoromethyl)phenyl]ethyl})amine hydrochloride

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CC(C1=CC(=CC=C1)C(F)(F)F)NOC
InChI
InChI=1S/C10H12F3NO/c1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13/h3-7,14H,1-2H3
InChIKey
CNDPWHDDYPVLAU-UHFFFAOYSA-N
Compound name
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.0871 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.094376 144.2
[M+Na]+ 242.076318 151.6
[M-H]- 218.079824 144.0
[M+NH4]+ 237.120923 162.5
[M+K]+ 258.050258 149.5
[M+H-H2O]+ 202.084360 135.8
[M+HCOO]- 264.085301 163.9
[M+CH3COO]- 278.100951 191.1
[M+Na-2H]- 240.061766 149.0
[M]+ 219.08655142 140.7
[M]- 219.08764858 140.7
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

patents stripe