CID 3046409

N-(2-cyanoethyl)-alpha-methyl-3-trifluoromethylphenethylamine hydrochloride

Structural Information

Molecular Formula
C13H15F3N2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCC#N
InChI
InChI=1S/C13H15F3N2/c1-10(18-7-3-6-17)8-11-4-2-5-12(9-11)13(14,15)16/h2,4-5,9-10,18H,3,7-8H2,1H3
InChIKey
XSKXDCMIHJFOPN-UHFFFAOYSA-N
Compound name
3-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.11874 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12602 155.5
[M+Na]+ 279.10796 163.4
[M-H]- 255.11146 154.5
[M+NH4]+ 274.15256 170.3
[M+K]+ 295.08190 159.6
[M+H-H2O]+ 239.11600 140.4
[M+HCOO]- 301.11694 170.9
[M+CH3COO]- 315.13259 209.8
[M+Na-2H]- 277.09341 158.4
[M]+ 256.11819 146.8
[M]- 256.11929 146.8
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