CID 62058

53422-49-4

Structural Information

Molecular Formula

C₂H₄N₄O₃

SMILES

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

InChI

InChI=1S/C2H4N4O3/c3-5-4-1-2-9-6(7)8/h1-2H2

InChIKey

VXKDWRHYEHAGTI-UHFFFAOYSA-N

Compound name

2-azidoethyl nitrate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.02834 Da
Monoisotopic Mass: 1.4
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]+	133.03562	122.1
[M+Na]+	155.01756	128.6
[M-H]-	131.02106	125.4
[M+NH4]+	150.06216	142.5
[M+K]+	170.99150	121.8
[M+H-H2O]+	115.02560	125.4
[M+HCOO]-	177.02654	154.2
[M+CH3COO]-	191.04219	170.1
[M+Na-2H]-	153.00301	134.8
[M]+	132.02779	119.8
[M]-	132.02889	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.