CID 12925330

78807-02-0

Structural Information

Molecular Formula

C₈H₉N₃

SMILES

C1CCNC(=C(C#N)C#N)C1

InChI

InChI=1S/C8H9N3/c9-5-7(6-10)8-3-1-2-4-11-8/h11H,1-4H2

InChIKey

SFAFIKXLBMHPCT-UHFFFAOYSA-N

Compound name

2-piperidin-2-ylidenepropanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 147.07965 Da
Monoisotopic Mass: 0.9
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]+	148.08693	144.9
[M+Na]+	170.06887	152.5
[M-H]-	146.07237	146.0
[M+NH4]+	165.11347	157.2
[M+K]+	186.04281	148.8
[M+H-H2O]+	130.07691	129.6
[M+HCOO]-	192.07785	153.3
[M+CH3COO]-	206.09350	207.7
[M+Na-2H]-	168.05432	146.6
[M]+	147.07910	131.9
[M]-	147.08020	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe