CID 203995

Phenethylamine, p-amino-beta,beta-diallyl-, dihydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
C=CCC(CC=C)(CN)C1=CC=C(C=C1)N
InChI
InChI=1S/C14H20N2/c1-3-9-14(11-15,10-4-2)12-5-7-13(16)8-6-12/h3-8H,1-2,9-11,15-16H2
InChIKey
FHJKNVAGHKHXAY-UHFFFAOYSA-N
Compound name
4-[4-(aminomethyl)hepta-1,6-dien-4-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 153.6
[M+Na]+ 239.15186 163.5
[M+NH4]+ 234.19646 160.9
[M+K]+ 255.12580 156.8
[M-H]- 215.15536 155.9
[M+Na-2H]- 237.13731 158.9
[M]+ 216.16209 155.4
[M]- 216.16319 155.4
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.