CID 13933564

N1-(3-pyridinylmethyl)-1,3-propanediamine

Structural Information

Molecular Formula
C9H15N3
SMILES
C1=CC(=CN=C1)CNCCCN
InChI
InChI=1S/C9H15N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,4,6,8,10H2
InChIKey
IFZYTBAJJNWAKE-UHFFFAOYSA-N
Compound name
N'-(pyridin-3-ylmethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

165.1266 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 135.8
[M+Na]+ 188.11582 141.5
[M-H]- 164.11932 137.1
[M+NH4]+ 183.16042 154.1
[M+K]+ 204.08976 139.0
[M+H-H2O]+ 148.12386 128.4
[M+HCOO]- 210.12480 160.5
[M+CH3COO]- 224.14045 183.0
[M+Na-2H]- 186.10127 143.8
[M]+ 165.12605 133.7
[M]- 165.12715 133.7
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