CID 87375335

Schembl2349303

Structural Information

Molecular Formula

C₄H₁₁N₃O₂

SMILES

C(CN(CCO)N=O)N

InChI

InChI=1S/C4H11N3O2/c5-1-2-7(6-9)3-4-8/h8H,1-5H2

InChIKey

LPOFBBMGVGMDFG-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-N-(2-hydroxyethyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 133.08513 Da
Monoisotopic Mass: -1.4
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]+	134.09241	125.4
[M+Na]+	156.07435	131.2
[M-H]-	132.07785	126.7
[M+NH4]+	151.11895	146.6
[M+K]+	172.04829	132.7
[M+H-H2O]+	116.08239	119.2
[M+HCOO]-	178.08333	153.3
[M+CH3COO]-	192.09898	181.8
[M+Na-2H]-	154.05980	132.3
[M]+	133.08458	125.8
[M]-	133.08568	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe