CID 385985

2-cyano-2-nitrosoacetamide

Structural Information

Molecular Formula

C₃H₃N₃O₂

SMILES

C(#N)C(C(=O)N)N=O

InChI

InChI=1S/C3H3N3O2/c4-1-2(6-8)3(5)7/h2H,(H2,5,7)

InChIKey

DXISQUITOXALCU-UHFFFAOYSA-N

Compound name

2-cyano-2-nitrosoacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 126
Patents: 113.02253 Da
Monoisotopic Mass: -1.3
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]+	114.029806	120.8
[M+Na]+	136.011748	129.3
[M-H]-	112.015254	122.6
[M+NH4]+	131.056353	140.5
[M+K]+	151.985688	130.9
[M+H-H2O]+	96.019790	108.8
[M+HCOO]-	158.020731	143.2
[M+CH3COO]-	172.036381	187.9
[M+Na-2H]-	133.997196	126.2
[M]+	113.02198142	115.2
[M]-	113.02307858	115.2

Literature stripe

literature stripe

Patent stripe

patents stripe