CID 2783443

2-(diaminomethylidene)propanedinitrile

Structural Information

Molecular Formula

C₄H₄N₄

SMILES

C(#N)C(=C(N)N)C#N

InChI

InChI=1S/C4H4N4/c5-1-3(2-6)4(7)8/h7-8H2

InChIKey

KBGWULLXFVTZCA-UHFFFAOYSA-N

Compound name

2-(diaminomethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 108.043594 Da
Monoisotopic Mass: -1.0
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]+	109.05087	142.8
[M+Na]+	131.03281	150.4
[M-H]-	107.03632	144.2
[M+NH4]+	126.07742	156.7
[M+K]+	147.00675	150.4
[M+H-H2O]+	91.040854	128.2
[M+HCOO]-	153.04180	155.1
[M+CH3COO]-	167.05744	208.4
[M+Na-2H]-	129.01826	143.6
[M]+	108.04305	131.1
[M]-	108.04414	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe