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	133.0
[M+Na]+	187.06893	138.0
[M-H]-	163.07243	131.8
[M+NH4]+	182.11353	151.9
[M+K]+	203.04287	139.2
[M+H-H2O]+	147.07697	127.2
[M+HCOO]-	209.07791	156.7
[M+CH3COO]-	223.09356	180.4
[M+Na-2H]-	185.05438	137.9
[M]+	164.07916	134.0
[M]-	164.08026	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe