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: 375
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]+	147.07642	128.0
[M+Na]+	169.05836	134.9
[M-H]-	145.06186	131.4
[M+NH4]+	164.10296	150.1
[M+K]+	185.03230	137.8
[M+H-H2O]+	129.06640	122.1
[M+HCOO]-	191.06734	156.3
[M+CH3COO]-	205.08299	183.7
[M+Na-2H]-	167.04381	134.6
[M]+	146.06859	132.6
[M]-	146.06969	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe