CID 5463886

1,3-bis(diazo)propane

Structural Information

Molecular Formula

C₃H₄N₄

SMILES

C(C=[N+]=[N-])C=[N+]=[N-]

InChI

InChI=1S/C3H4N4/c4-6-2-1-3-7-5/h2-3H,1H2

InChIKey

YVLXUSKPJZOGCN-UHFFFAOYSA-N

Compound name

1,3-didiazopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 96.043594 Da
Monoisotopic Mass: 0.1
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]+	97.050870	117.1
[M+Na]+	119.03281	124.1
[M-H]-	95.036318	120.3
[M+NH4]+	114.07742	139.3
[M+K]+	135.00675	115.2
[M+H-H2O]+	79.040854	121.1
[M+HCOO]-	141.04180	149.4
[M+CH3COO]-	155.05744	165.2
[M+Na-2H]-	117.01826	129.8
[M]+	96.043045	111.4
[M]-	96.044143	111.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe