CID 54918209

Methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate hydrochloride

Structural Information

Molecular Formula
C11H12F3NO2
SMILES
CNC(C1=CC=C(C=C1)C(F)(F)F)C(=O)OC
InChI
InChI=1S/C11H12F3NO2/c1-15-9(10(16)17-2)7-3-5-8(6-4-7)11(12,13)14/h3-6,9,15H,1-2H3
InChIKey
STMZNGHFDRDDTN-UHFFFAOYSA-N
Compound name
methyl 2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08202 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08930 150.8
[M+Na]+ 270.07124 157.8
[M-H]- 246.07474 150.5
[M+NH4]+ 265.11584 167.8
[M+K]+ 286.04518 155.9
[M+H-H2O]+ 230.07928 142.2
[M+HCOO]- 292.08022 169.6
[M+CH3COO]- 306.09587 195.5
[M+Na-2H]- 268.05669 153.9
[M]+ 247.08147 147.7
[M]- 247.08257 147.7
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

No patent data available for this compound.