CID 124536

96724-45-7

Structural Information

Molecular Formula

C₅H₁₁N₃O₃

SMILES

CCNC(=O)N(CCO)N=O

InChI

InChI=1S/C5H11N3O3/c1-2-6-5(10)8(7-11)3-4-9/h9H,2-4H2,1H3,(H,6,10)

InChIKey

WOEOEFXOZUBXMR-UHFFFAOYSA-N

Compound name

3-ethyl-1-(2-hydroxyethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 161.08005 Da
Monoisotopic Mass: -0.3
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]+	162.08733	132.3
[M+Na]+	184.06927	137.8
[M-H]-	160.07277	134.1
[M+NH4]+	179.11387	152.6
[M+K]+	200.04321	139.8
[M+H-H2O]+	144.07731	125.9
[M+HCOO]-	206.07825	160.0
[M+CH3COO]-	220.09390	186.2
[M+Na-2H]-	182.05472	138.5
[M]+	161.07950	134.0
[M]-	161.08060	134.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.