CID 36293

Ethylnitrosobiuret

Structural Information

Molecular Formula

C₄H₈N₄O₃

SMILES

CCN(C(=O)NC(=O)N)N=O

InChI

InChI=1S/C4H8N4O3/c1-2-8(7-11)4(10)6-3(5)9/h2H2,1H3,(H3,5,6,9,10)

InChIKey

YVEVBOOTJZJLSH-UHFFFAOYSA-N

Compound name

3-carbamoyl-1-ethyl-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 37
Patents: 160.05965 Da
Monoisotopic Mass: -0.1
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]+	161.06693	130.7
[M+Na]+	183.04887	136.3
[M-H]-	159.05237	133.7
[M+NH4]+	178.09347	150.9
[M+K]+	199.02281	139.1
[M+H-H2O]+	143.05691	123.8
[M+HCOO]-	205.05785	159.7
[M+CH3COO]-	219.07350	189.7
[M+Na-2H]-	181.03432	135.8
[M]+	160.05910	130.6
[M]-	160.06020	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe