CID 3046426

N-(2-cyanoethyl)-beta-methoxy-alpha-methyl-m-trifluoromethylphenethylamine hydrochloride

Structural Information

Molecular Formula
C14H17F3N2O
SMILES
CC(C(C1=CC(=CC=C1)C(F)(F)F)OC)NCCC#N
InChI
InChI=1S/C14H17F3N2O/c1-10(19-8-4-7-18)13(20-2)11-5-3-6-12(9-11)14(15,16)17/h3,5-6,9-10,13,19H,4,8H2,1-2H3
InChIKey
ZWLBZQFSRWSKCP-UHFFFAOYSA-N
Compound name
3-[[1-methoxy-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1293 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13658 162.9
[M+Na]+ 309.11852 170.0
[M-H]- 285.12202 161.8
[M+NH4]+ 304.16312 176.5
[M+K]+ 325.09246 167.0
[M+H-H2O]+ 269.12656 147.5
[M+HCOO]- 331.12750 177.3
[M+CH3COO]- 345.14315 215.0
[M+Na-2H]- 307.10397 164.2
[M]+ 286.12875 155.2
[M]- 286.12985 155.2
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.