CID 427260

N-(3-aminopropyl)aniline

Structural Information

Molecular Formula
C9H14N2
SMILES
C1=CC=C(C=C1)NCCCN
InChI
InChI=1S/C9H14N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8,10H2
InChIKey
DOSWHECVUKBMCG-UHFFFAOYSA-N
Compound name
N'-phenylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

150.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.5
[M+Na]+ 173.10491 143.6
[M+NH4]+ 168.14951 141.5
[M+K]+ 189.07885 136.5
[M-H]- 149.10841 136.2
[M+Na-2H]- 171.09036 140.2
[M]+ 150.11514 134.9
[M]- 150.11624 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe