CID 88328

19992-69-9

Structural Information

Molecular Formula

C₇H₁₀N₄

SMILES

CN(C)N=NC1=CN=CC=C1

InChI

InChI=1S/C7H10N4/c1-11(2)10-9-7-4-3-5-8-6-7/h3-6H,1-2H3

InChIKey

IDRFBGHJCGDXRW-UHFFFAOYSA-N

Compound name

N-methyl-N-(pyridin-3-yldiazenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 150.09055 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.097826	129.0
[M+Na]+	173.079768	136.0
[M-H]-	149.083274	135.6
[M+NH4]+	168.124373	149.9
[M+K]+	189.053708	137.1
[M+H-H2O]+	133.087810	120.9
[M+HCOO]-	195.088751	159.7
[M+CH3COO]-	209.104401	189.8
[M+Na-2H]-	171.065216	139.7
[M]+	150.09000142	130.8
[M]-	150.09109858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe