CID 31446

22629-10-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

C1C2CC(C1C=C2)C=C(C#N)C#N

InChI

InChI=1S/C11H10N2/c12-6-9(7-13)5-11-4-8-1-2-10(11)3-8/h1-2,5,8,10-11H,3-4H2

InChIKey

BNNHCZXJHVKAQE-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.1]hept-5-enylmethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0844 Da
Monoisotopic Mass: 2.0
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]+	171.09168	156.7
[M+Na]+	193.07362	167.6
[M-H]-	169.07712	159.8
[M+NH4]+	188.11822	173.5
[M+K]+	209.04756	159.9
[M+H-H2O]+	153.08166	142.1
[M+HCOO]-	215.08260	168.0
[M+CH3COO]-	229.09825	213.4
[M+Na-2H]-	191.05907	157.0
[M]+	170.08385	148.0
[M]-	170.08495	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe