CID 3076584

Alpha-((2-(dimethylamino)ethoxy)methyl)-3-(trifluoromethyl)benzenemethanol hydrochloride

Structural Information

Molecular Formula
C13H18F3NO2
SMILES
CN(C)CCOCC(C1=CC(=CC=C1)C(F)(F)F)O
InChI
InChI=1S/C13H18F3NO2/c1-17(2)6-7-19-9-12(18)10-4-3-5-11(8-10)13(14,15)16/h3-5,8,12,18H,6-7,9H2,1-2H3
InChIKey
RXMMCIKVBCKAPL-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-[3-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

277.12897 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13625 161.5
[M+Na]+ 300.11819 167.3
[M-H]- 276.12169 160.8
[M+NH4]+ 295.16279 177.3
[M+K]+ 316.09213 165.5
[M+H-H2O]+ 260.12623 152.4
[M+HCOO]- 322.12717 179.4
[M+CH3COO]- 336.14282 203.0
[M+Na-2H]- 298.10364 163.6
[M]+ 277.12842 159.9
[M]- 277.12952 159.9
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

patents stripe