CID 40828

53609-64-6

Structural Information

Molecular Formula

C₆H₁₄N₂O₃

SMILES

CC(CN(CC(C)O)N=O)O

InChI

InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3

InChIKey

MNIGYIKCFSPQRJ-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxypropyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 319
References: 727
Patents: 162.10045 Da
Monoisotopic Mass: -0.3
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]+	163.10773	135.3
[M+Na]+	185.08967	141.8
[M+NH4]+	180.13427	141.2
[M+K]+	201.06361	139.7
[M-H]-	161.09317	133.9
[M+Na-2H]-	183.07512	137.1
[M]+	162.09990	135.2
[M]-	162.10100	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe