CID 52729

Brn 2997001

Structural Information

Molecular Formula
C15H20F3NO2
SMILES
CCC(=O)OCCNC(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C15H20F3NO2/c1-3-14(20)21-8-7-19-11(2)9-12-5-4-6-13(10-12)15(16,17)18/h4-6,10-11,19H,3,7-9H2,1-2H3
InChIKey
ZVAIJPWHWKNLHC-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14462 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15190 169.7
[M+Na]+ 326.13384 175.0
[M-H]- 302.13734 168.7
[M+NH4]+ 321.17844 184.4
[M+K]+ 342.10778 172.2
[M+H-H2O]+ 286.14188 160.3
[M+HCOO]- 348.14282 187.2
[M+CH3COO]- 362.15847 207.5
[M+Na-2H]- 324.11929 170.7
[M]+ 303.14407 168.1
[M]- 303.14517 168.1
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.