CID 11977

Nitrosoethylurethane

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

CCN(C(=O)OCC)N=O

InChI

InChI=1S/C5H10N2O3/c1-3-7(6-9)5(8)10-4-2/h3-4H2,1-2H3

InChIKey

RAUQLNDTFONODT-UHFFFAOYSA-N

Compound name

ethyl N-ethyl-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 153
Patents: 146.06914 Da
Monoisotopic Mass: 0.6
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]+	147.076416	128.0
[M+Na]+	169.058358	134.9
[M-H]-	145.061864	131.4
[M+NH4]+	164.102963	150.1
[M+K]+	185.032298	137.8
[M+H-H2O]+	129.066400	122.1
[M+HCOO]-	191.067341	156.3
[M+CH3COO]-	205.082991	183.7
[M+Na-2H]-	167.043806	134.6
[M]+	146.06859142	132.6
[M]-	146.06968858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe