CID 9543151

108249-27-0

Structural Information

Molecular Formula

C₂H₆N₂O₄

SMILES

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

InChI

InChI=1S/C2H6N2O4/c5-1-3(2-6)4(7)8/h5-6H,1-2H2

InChIKey

WRZHBAUINPFLED-UHFFFAOYSA-N

Compound name

N,N-bis(hydroxymethyl)nitramide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1
Patents: 122.03275 Da
Monoisotopic Mass: -0.5
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]+	123.040026	117.8
[M+Na]+	145.021968	124.3
[M-H]-	121.025474	117.2
[M+NH4]+	140.066573	138.2
[M+K]+	160.995908	121.5
[M+H-H2O]+	105.030010	117.8
[M+HCOO]-	167.030951	143.2
[M+CH3COO]-	181.046601	162.8
[M+Na-2H]-	143.007416	126.4
[M]+	122.03220142	115.9
[M]-	122.03329858	115.9

Literature stripe

literature stripe

Patent stripe

patents stripe