CID 128977

Ndpea

Structural Information

Molecular Formula

C₅H₁₂N₂O₄

SMILES

C(CO)N(CC(CO)O)N=O

InChI

InChI=1S/C5H12N2O4/c8-2-1-7(6-11)3-5(10)4-9/h5,8-10H,1-4H2

InChIKey

ZRVIKNOBHVPYAM-UHFFFAOYSA-N

Compound name

N-(2,3-dihydroxypropyl)-N-(2-hydroxyethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 164.07971 Da
Monoisotopic Mass: -1.8
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]+	165.08699	133.7
[M+Na]+	187.06893	139.6
[M+NH4]+	182.11353	138.9
[M+K]+	203.04287	137.8
[M-H]-	163.07243	131.3
[M+Na-2H]-	185.05438	135.0
[M]+	164.07916	133.1
[M]-	164.08026	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe