CID 103874

54088-65-2

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CC(CCC=C(C)C)C#N

InChI

InChI=1S/C9H15N/c1-8(2)5-4-6-9(3)7-10/h5,9H,4,6H2,1-3H3

InChIKey

BMVIJPTWXRECLB-UHFFFAOYSA-N

Compound name

2,6-dimethylhept-5-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 137.12045 Da
Monoisotopic Mass: 2.8
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]+	138.12773	132.7
[M+Na]+	160.10967	142.5
[M+NH4]+	155.15427	137.3
[M+K]+	176.08361	133.8
[M-H]-	136.11317	125.4
[M+Na-2H]-	158.09512	134.0
[M]+	137.11990	131.0
[M]-	137.12100	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe