CID 53447272

Dtxsid00703428

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

COC(=C[N+](=O)[O-])CN

InChI

InChI=1S/C4H8N2O3/c1-9-4(2-5)3-6(7)8/h3H,2,5H2,1H3

InChIKey

RANWRJYBGURCMV-UHFFFAOYSA-N

Compound name

2-methoxy-3-nitroprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.0535 Da
Monoisotopic Mass: -0.8
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]+	133.060776	124.2
[M+Na]+	155.042718	130.7
[M-H]-	131.046224	124.3
[M+NH4]+	150.087323	144.7
[M+K]+	171.016658	127.0
[M+H-H2O]+	115.050760	124.0
[M+HCOO]-	177.051701	149.8
[M+CH3COO]-	191.067351	167.1
[M+Na-2H]-	153.028166	131.0
[M]+	132.05295142	121.7
[M]-	132.05404858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.