CID 15407926

191156-64-6

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

C1CN(C(CN1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C11H13N3/c12-8-11-9-13-6-7-14(11)10-4-2-1-3-5-10/h1-5,11,13H,6-7,9H2

InChIKey

UXDJYDVZTKFIBR-UHFFFAOYSA-N

Compound name

1-phenylpiperazine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 187.11095 Da
Monoisotopic Mass: 1.2
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]+	188.118226	140.8
[M+Na]+	210.100168	148.4
[M-H]-	186.103674	141.4
[M+NH4]+	205.144773	154.8
[M+K]+	226.074108	143.0
[M+H-H2O]+	170.108210	126.0
[M+HCOO]-	232.109151	154.5
[M+CH3COO]-	246.124801	150.3
[M+Na-2H]-	208.085616	146.0
[M]+	187.11040142	129.5
[M]-	187.11149858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe