CID 74055

Cyanoacetylurea

Structural Information

Molecular Formula

C₄H₅N₃O₂

SMILES

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

InChI

InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)

InChIKey

QJGRPCPCQQPZLZ-UHFFFAOYSA-N

Compound name

N-carbamoyl-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 265
Patents: 127.03818 Da
Monoisotopic Mass: -0.8
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]+	128.04546	129.1
[M+Na]+	150.02740	136.3
[M+NH4]+	145.07200	131.9
[M+K]+	166.00134	130.2
[M-H]-	126.03090	120.9
[M+Na-2H]-	148.01285	129.2
[M]+	127.03763	126.4
[M]-	127.03873	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe