CID 25665

Diallyl-p-aminophenylmethane hydrochloride

Structural Information

Molecular Formula
C13H17N
SMILES
C=CCC(CC=C)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H17N/c1-3-5-11(6-4-2)12-7-9-13(14)10-8-12/h3-4,7-11H,1-2,5-6,14H2
InChIKey
DCPXIXLZYVHPDR-UHFFFAOYSA-N
Compound name
4-hepta-1,6-dien-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 144.3
[M+Na]+ 210.12532 150.5
[M-H]- 186.12882 147.1
[M+NH4]+ 205.16992 163.7
[M+K]+ 226.09926 146.5
[M+H-H2O]+ 170.13336 138.2
[M+HCOO]- 232.13430 167.4
[M+CH3COO]- 246.14995 187.8
[M+Na-2H]- 208.11077 147.7
[M]+ 187.13555 142.3
[M]- 187.13665 142.3
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.