CID 3014828

1-nitroso-4-phenylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

C1CN(CCN1C2=CC=CC=C2)N=O

InChI

InChI=1S/C10H13N3O/c14-11-13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

FISCVUKZOKHQGD-UHFFFAOYSA-N

Compound name

1-nitroso-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 191.10587 Da
Monoisotopic Mass: 1.8
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]+	192.11315	141.9
[M+Na]+	214.09509	154.7
[M+NH4]+	209.13969	150.4
[M+K]+	230.06903	147.6
[M-H]-	190.09859	145.9
[M+Na-2H]-	212.08054	150.6
[M]+	191.10532	144.7
[M]-	191.10642	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe