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]+ 217.169916 152.9
[M+Na]+ 239.151858 158.5
[M-H]- 215.155364 155.1
[M+NH4]+ 234.196463 170.5
[M+K]+ 255.125798 153.7
[M+H-H2O]+ 199.159900 146.6
[M+HCOO]- 261.160841 175.4
[M+CH3COO]- 275.176491 194.7
[M+Na-2H]- 237.137306 156.8
[M]+ 216.16209142 149.6
[M]- 216.16318858 149.6
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.