CID 10606924

N1-(pyridin-2-yl)propane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula
C8H13N3
SMILES
C1=CC=NC(=C1)NCCCN
InChI
InChI=1S/C8H13N3/c9-5-3-7-11-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7,9H2,(H,10,11)
InChIKey
CNDAFPBECHAXDU-UHFFFAOYSA-N
Compound name
N'-pyridin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

124
Patents

151.11095 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 131.3
[M+Na]+ 174.10017 137.5
[M-H]- 150.10367 132.8
[M+NH4]+ 169.14477 150.2
[M+K]+ 190.07411 135.2
[M+H-H2O]+ 134.10821 124.1
[M+HCOO]- 196.10915 156.4
[M+CH3COO]- 210.12480 180.0
[M+Na-2H]- 172.08562 139.8
[M]+ 151.11040 128.9
[M]- 151.11150 128.9
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