CID 12554626

48121-20-6

Structural Information

Molecular Formula

C₆H₁₃N₃O₂

SMILES

C1CN(CCN1CCO)N=O

InChI

InChI=1S/C6H13N3O2/c10-6-5-8-1-3-9(7-11)4-2-8/h10H,1-6H2

InChIKey

UGTGTQBGWNCKBI-UHFFFAOYSA-N

Compound name

2-(4-nitrosopiperazin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 159.10077 Da
Monoisotopic Mass: -0.5
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]+	160.108046	133.4
[M+Na]+	182.089988	139.3
[M-H]-	158.093494	133.6
[M+NH4]+	177.134593	151.1
[M+K]+	198.063928	138.9
[M+H-H2O]+	142.098030	125.9
[M+HCOO]-	204.098971	153.6
[M+CH3COO]-	218.114621	177.9
[M+Na-2H]-	180.075436	139.9
[M]+	159.10022142	130.8
[M]-	159.10131858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe