CID 3057517

74051-03-9

Structural Information

Molecular Formula
C15H22F3N
SMILES
CCCCN(C)C(C)CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C15H22F3N/c1-4-5-9-19(3)12(2)10-13-7-6-8-14(11-13)15(16,17)18/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKey
HPMVXMNPSHKAJD-UHFFFAOYSA-N
Compound name
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17044 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17772 164.2
[M+Na]+ 296.15966 169.8
[M-H]- 272.16316 164.6
[M+NH4]+ 291.20426 181.0
[M+K]+ 312.13360 167.3
[M+H-H2O]+ 256.16770 154.9
[M+HCOO]- 318.16864 182.5
[M+CH3COO]- 332.18429 207.7
[M+Na-2H]- 294.14511 165.6
[M]+ 273.16989 162.4
[M]- 273.17099 162.4
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.