CID 149482

1-nitroso-1-methyl-3-ethylurea

Structural Information

Molecular Formula

C₄H₉N₃O₂

SMILES

CCNC(=O)N(C)N=O

InChI

InChI=1S/C4H9N3O2/c1-3-5-4(8)7(2)6-9/h3H2,1-2H3,(H,5,8)

InChIKey

IHSMGJQJILYALZ-UHFFFAOYSA-N

Compound name

3-ethyl-1-methyl-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 131.06947 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]+	132.07675	126.4
[M+Na]+	154.05869	134.0
[M+NH4]+	149.10329	133.3
[M+K]+	170.03263	130.6
[M-H]-	130.06219	126.9
[M+Na-2H]-	152.04414	130.3
[M]+	131.06892	127.1
[M]-	131.07002	127.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.