CID 20120

Dimethylnitramine

Structural Information

Molecular Formula

C₂H₆N₂O₂

SMILES

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

InChI

InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3

InChIKey

XRWKADIRZXTTLH-UHFFFAOYSA-N

Compound name

N,N-dimethylnitramide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 47
References: 232
Patents: 90.04293 Da
Monoisotopic Mass: 0.6
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]+	91.050206	112.2
[M+Na]+	113.03215	119.7
[M-H]-	89.035654	114.6
[M+NH4]+	108.07675	135.5
[M+K]+	129.00609	118.1
[M+H-H2O]+	73.040190	112.4
[M+HCOO]-	135.04113	140.2
[M+CH3COO]-	149.05678	164.5
[M+Na-2H]-	111.01760	121.6
[M]+	90.042381	111.4
[M]-	90.043479	111.4

Literature stripe

literature stripe

Patent stripe

patents stripe