CID 170916121

73486-81-4

Structural Information

Molecular Formula

C₈H₁₇N₃O₃

SMILES

C1CN(CCN1CCOCCO)N=O

InChI

InChI=1S/C8H17N3O3/c12-6-8-14-7-5-10-1-3-11(9-13)4-2-10/h12H,1-8H2

InChIKey

ZCSHCPJVAISBPO-UHFFFAOYSA-N

Compound name

2-[2-(4-nitrosopiperazin-1-yl)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.127 Da
Monoisotopic Mass: -0.8
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]+	204.134276	144.6
[M+Na]+	226.116218	149.5
[M-H]-	202.119724	144.4
[M+NH4]+	221.160823	160.4
[M+K]+	242.090158	149.1
[M+H-H2O]+	186.124260	136.5
[M+HCOO]-	248.125201	164.4
[M+CH3COO]-	262.140851	186.1
[M+Na-2H]-	224.101666	150.1
[M]+	203.12645142	144.1
[M]-	203.12754858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe