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

10
Patents

192.16264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.16992 145.2
[M+Na]+ 215.15186 149.6
[M-H]- 191.15536 147.4
[M+NH4]+ 210.19646 163.8
[M+K]+ 231.12580 146.4
[M+H-H2O]+ 175.15990 138.2
[M+HCOO]- 237.16084 170.2
[M+CH3COO]- 251.17649 189.6
[M+Na-2H]- 213.13731 151.4
[M]+ 192.16209 143.7
[M]- 192.16319 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