CID 24245

7601-87-8

Structural Information

Molecular Formula

C₄H₆N₄O₄

SMILES

CN(C(=O)C(=O)N(C)N=O)N=O

InChI

InChI=1S/C4H6N4O4/c1-7(5-11)3(9)4(10)8(2)6-12/h1-2H3

InChIKey

CBWVWOOEXJQIFA-UHFFFAOYSA-N

Compound name

N,N'-dimethyl-N,N'-dinitrosooxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 174.03891 Da
Monoisotopic Mass: -1.0
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]+	175.046186	130.7
[M+Na]+	197.028128	137.2
[M-H]-	173.031634	137.2
[M+NH4]+	192.072733	151.9
[M+K]+	213.002068	142.5
[M+H-H2O]+	157.036170	123.6
[M+HCOO]-	219.037111	162.9
[M+CH3COO]-	233.052761	197.5
[M+Na-2H]-	195.013576	137.0
[M]+	174.03836142	135.7
[M]-	174.03945858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe