CID 78486

2-nitropropene

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C3H5NO2/c1-3(2)4(5)6/h1H2,2H3

InChIKey

GXEXLSDIVMVEFZ-UHFFFAOYSA-N

Compound name

2-nitroprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 472
Patents: 87.03203 Da
Monoisotopic Mass: 1.1
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]+	88.039306	112.8
[M+Na]+	110.02125	124.4
[M+NH4]+	105.06585	121.2
[M+K]+	125.99519	122.3
[M-H]-	86.024754	113.6
[M+Na-2H]-	108.00670	117.1
[M]+	87.031481	114.4
[M]-	87.032579	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe