CID 81575

7149-44-2

Structural Information

Molecular Formula
C8H13N3
SMILES
C1=CN=CC=C1CNCCN
InChI
InChI=1S/C8H13N3/c9-3-6-11-7-8-1-4-10-5-2-8/h1-2,4-5,11H,3,6-7,9H2
InChIKey
BGCZGXQDXVUOKK-UHFFFAOYSA-N
Compound name
N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

151.11095 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 131.3
[M+Na]+ 174.100168 137.5
[M-H]- 150.103674 132.8
[M+NH4]+ 169.144773 150.2
[M+K]+ 190.074108 135.2
[M+H-H2O]+ 134.108210 124.1
[M+HCOO]- 196.109151 156.4
[M+CH3COO]- 210.124801 180.0
[M+Na-2H]- 172.085616 139.8
[M]+ 151.11040142 128.9
[M]- 151.11149858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.