CID 88964

1-(3-pyridyl)-3,3-diethyltriazene

Structural Information

Molecular Formula
C9H14N4
SMILES
CCN(CC)N=NC1=CN=CC=C1
InChI
InChI=1S/C9H14N4/c1-3-13(4-2)12-11-9-6-5-7-10-8-9/h5-8H,3-4H2,1-2H3
InChIKey
MCAIXMIIMYVJOQ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(pyridin-3-yldiazenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

178.12184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 138.3
[M+Na]+ 201.111058 144.4
[M-H]- 177.114564 144.5
[M+NH4]+ 196.155663 158.0
[M+K]+ 217.084998 144.9
[M+H-H2O]+ 161.119100 129.7
[M+HCOO]- 223.120041 168.3
[M+CH3COO]- 237.135691 195.9
[M+Na-2H]- 199.096506 147.8
[M]+ 178.12129142 140.7
[M]- 178.12238858 140.7
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