CID 154699883

Ns00117922

Structural Information

Molecular Formula

C₄H₉N₂O₂

SMILES

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

InChI

InChI=1S/C4H9N2O2/c1-4(7)6(8)5(2)3/h1-3H3/q+1

InChIKey

DXKOXQUSPFWVMM-UHFFFAOYSA-N

Compound name

acetyl-(dimethylamino)-oxoazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 117.06641 Da
Monoisotopic Mass: 0.0
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]+	118.07369	119.2
[M+Na]+	140.05563	126.4
[M-H]-	116.05913	123.2
[M+NH4]+	135.10023	142.2
[M+K]+	156.02957	124.2
[M+H-H2O]+	100.06367	116.9
[M+HCOO]-	162.06461	146.4
[M+CH3COO]-	176.08026	172.9
[M+Na-2H]-	138.04108	127.5
[M]+	117.06586	120.0
[M]-	117.06696	120.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.