CID 416462

1-nitrobiuret

Structural Information

Molecular Formula

C₂H₄N₄O₄

SMILES

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

InChI

InChI=1S/C2H4N4O4/c3-1(7)4-2(8)5-6(9)10/h(H4,3,4,5,7,8)

InChIKey

PDMSYILLGCPHSS-UHFFFAOYSA-N

Compound name

1-carbamoyl-3-nitrourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 64
Patents: 148.02325 Da
Monoisotopic Mass: -0.2
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]+	149.03053	120.9
[M+Na]+	171.01247	126.4
[M-H]-	147.01597	121.2
[M+NH4]+	166.05707	139.7
[M+K]+	186.98641	123.5
[M+H-H2O]+	131.02051	119.7
[M+HCOO]-	193.02145	148.5
[M+CH3COO]-	207.03710	171.5
[M+Na-2H]-	168.99792	128.4
[M]+	148.02270	115.8
[M]-	148.02380	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe