CID 209253

1-methyl-1h-perimidine

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

CN1C=NC2=CC=CC3=C2C1=CC=C3

InChI

InChI=1S/C12H10N2/c1-14-8-13-10-6-2-4-9-5-3-7-11(14)12(9)10/h2-8H,1H3

InChIKey

WLQWDTFOKYWCQK-UHFFFAOYSA-N

Compound name

1-methylperimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 268
Patents: 182.0844 Da
Monoisotopic Mass: 2.3
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]+	183.091676	138.1
[M+Na]+	205.073618	147.9
[M-H]-	181.077124	140.2
[M+NH4]+	200.118223	157.9
[M+K]+	221.047558	143.5
[M+H-H2O]+	165.081660	130.1
[M+HCOO]-	227.082601	157.3
[M+CH3COO]-	241.098251	151.2
[M+Na-2H]-	203.059066	149.0
[M]+	182.08385142	138.7
[M]-	182.08494858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe