CID 10954401

(3-aminopropyl)(3-phenylpropyl)amine

Structural Information

Molecular Formula
C12H20N2
SMILES
C1=CC=C(C=C1)CCCNCCCN
InChI
InChI=1S/C12H20N2/c13-9-5-11-14-10-4-8-12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11,13H2
InChIKey
KVQFEIUOCUWSAU-UHFFFAOYSA-N
Compound name
N'-(3-phenylpropyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

192.16264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.169916 145.2
[M+Na]+ 215.151858 149.6
[M-H]- 191.155364 147.4
[M+NH4]+ 210.196463 163.8
[M+K]+ 231.125798 146.4
[M+H-H2O]+ 175.159900 138.2
[M+HCOO]- 237.160841 170.2
[M+CH3COO]- 251.176491 189.6
[M+Na-2H]- 213.137306 151.4
[M]+ 192.16209142 143.7
[M]- 192.16318858 143.7
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