CID 3069721

85063-95-2

Structural Information

Molecular Formula

C₅H₁₁N₅O

SMILES

C1CN(CCN1C(=N)N)N=O

InChI

InChI=1S/C5H11N5O/c6-5(7)9-1-3-10(8-11)4-2-9/h1-4H2,(H3,6,7)

InChIKey

NZDNCUZGYRSVHT-UHFFFAOYSA-N

Compound name

4-nitrosopiperazine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.09636 Da
Monoisotopic Mass: -1.0
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]+	158.10364	132.3
[M+Na]+	180.08558	137.6
[M-H]-	156.08908	133.8
[M+NH4]+	175.13018	149.8
[M+K]+	196.05952	137.3
[M+H-H2O]+	140.09362	124.3
[M+HCOO]-	202.09456	154.8
[M+CH3COO]-	216.11021	184.2
[M+Na-2H]-	178.07103	138.3
[M]+	157.09581	125.9
[M]-	157.09691	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.