CID 120189

1h-perimidine

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1=CC2=C3C(=C1)NC=NC3=CC=C2

InChI

InChI=1S/C11H8N2/c1-3-8-4-2-6-10-11(8)9(5-1)12-7-13-10/h1-7H,(H,12,13)

InChIKey

AAQTWLBJPNLKHT-UHFFFAOYSA-N

Compound name

1H-perimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 13633
Patents: 168.06874 Da
Monoisotopic Mass: 2.1
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]+	169.076016	133.1
[M+Na]+	191.057958	142.1
[M-H]-	167.061464	133.8
[M+NH4]+	186.102563	152.5
[M+K]+	207.031898	137.1
[M+H-H2O]+	151.066000	125.6
[M+HCOO]-	213.066941	151.3
[M+CH3COO]-	227.082591	145.7
[M+Na-2H]-	189.043406	145.1
[M]+	168.06819142	131.2
[M]-	168.06928858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe