CID 74295

Nonanedinitrile

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

C(CCCC#N)CCCC#N

InChI

InChI=1S/C9H14N2/c10-8-6-4-2-1-3-5-7-9-11/h1-7H2

InChIKey

QXOYPGTWWXJFDI-UHFFFAOYSA-N

Compound name

nonanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1855
Patents: 150.11569 Da
Monoisotopic Mass: 1.2
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]+	151.122966	141.1
[M+Na]+	173.104908	149.5
[M-H]-	149.108414	143.2
[M+NH4]+	168.149513	155.4
[M+K]+	189.078848	147.9
[M+H-H2O]+	133.112950	126.9
[M+HCOO]-	195.113891	153.8
[M+CH3COO]-	209.129541	212.7
[M+Na-2H]-	171.090356	144.5
[M]+	150.11514142	135.0
[M]-	150.11623858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe