CID 83359

N-nitrososarcosine ethyl ester

Structural Information

Molecular Formula

C₅H₁₀N₂O₃

SMILES

CCOC(=O)CN(C)N=O

InChI

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

InChIKey

IIGUXNQRQSATOU-UHFFFAOYSA-N

Compound name

ethyl 2-[methyl(nitroso)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 20
References: 28
Patents: 146.06914 Da
Monoisotopic Mass: 0.5
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	127.8
[M+Na]+	169.05836	134.6
[M-H]-	145.06186	131.1
[M+NH4]+	164.10296	149.8
[M+K]+	185.03230	137.5
[M+H-H2O]+	129.06640	121.9
[M+HCOO]-	191.06734	156.1
[M+CH3COO]-	205.08299	184.4
[M+Na-2H]-	167.04381	134.4
[M]+	146.06859	132.4
[M]-	146.06969	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe