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: 534
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]+	163.107726	135.6
[M+Na]+	185.089668	140.5
[M-H]-	161.093174	135.9
[M+NH4]+	180.134273	155.4
[M+K]+	201.063608	142.4
[M+H-H2O]+	145.097710	129.8
[M+HCOO]-	207.098651	159.3
[M+CH3COO]-	221.114301	184.7
[M+Na-2H]-	183.075116	139.1
[M]+	162.09990142	136.8
[M]-	162.10099858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe