CID 3016531

5-methylenenonanedinitrile

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C=C(CCCC#N)CCCC#N

InChI

InChI=1S/C10H14N2/c1-10(6-2-4-8-11)7-3-5-9-12/h1-7H2

InChIKey

KKWHJFKPVHVBSZ-UHFFFAOYSA-N

Compound name

5-methylidenenonanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 162.11569 Da
Monoisotopic Mass: 1.9
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]+	163.122966	146.7
[M+Na]+	185.104908	154.8
[M-H]-	161.108414	148.8
[M+NH4]+	180.149513	160.5
[M+K]+	201.078848	152.9
[M+H-H2O]+	145.112950	132.4
[M+HCOO]-	207.113891	158.6
[M+CH3COO]-	221.129541	214.5
[M+Na-2H]-	183.090356	148.7
[M]+	162.11514142	139.8
[M]-	162.11623858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.