CID 18566

3396-17-6

Structural Information

Molecular Formula

C₆H₆N₂

SMILES

C1CC(C1C#N)C#N

InChI

InChI=1S/C6H6N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-2H2

InChIKey

CZPLUOCTUPJSIZ-UHFFFAOYSA-N

Compound name

cyclobutane-1,2-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 316
Patents: 106.0531 Da
Monoisotopic Mass: 0.2
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]+	107.060376	126.5
[M+Na]+	129.042318	134.8
[M-H]-	105.045824	130.9
[M+NH4]+	124.086923	137.8
[M+K]+	145.016258	137.4
[M+H-H2O]+	89.050360	109.8
[M+HCOO]-	151.051301	138.9
[M+CH3COO]-	165.066951	208.4
[M+Na-2H]-	127.027766	130.7
[M]+	106.05255142	123.8
[M]-	106.05364858	123.8

Literature stripe

literature stripe

Patent stripe

patents stripe