CID 14223

N-nitrosodiethanolamine

Structural Information

Molecular Formula

C₄H₁₀N₂O₃

SMILES

C(CO)N(CCO)N=O

InChI

InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2

InChIKey

YFCDLVPYFMHRQZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 125
References: 560
Patents: 134.06914 Da
Monoisotopic Mass: -1.5
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]+	135.07642	125.8
[M+Na]+	157.05836	133.4
[M+NH4]+	152.10296	132.2
[M+K]+	173.03230	130.0
[M-H]-	133.06186	124.8
[M+Na-2H]-	155.04381	128.8
[M]+	134.06859	126.0
[M]-	134.06969	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe