CID 82417809

6-cyclopropylpicolinonitrile

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1CC1C2=CC=CC(=N2)C#N

InChI

InChI=1S/C9H8N2/c10-6-8-2-1-3-9(11-8)7-4-5-7/h1-3,7H,4-5H2

InChIKey

FPITYCFBGRGUDZ-UHFFFAOYSA-N

Compound name

6-cyclopropylpyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 144.06874 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]+	145.076016	128.0
[M+Na]+	167.057958	144.0
[M-H]-	143.061464	135.1
[M+NH4]+	162.102563	143.4
[M+K]+	183.031898	137.4
[M+H-H2O]+	127.066000	117.1
[M+HCOO]-	189.066941	149.9
[M+CH3COO]-	203.082591	142.0
[M+Na-2H]-	165.043406	137.0
[M]+	144.06819142	126.3
[M]-	144.06928858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe