CID 117793

26410-85-5

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC(=CCCC(=C)CC#N)C

InChI

InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5H,3-4,6-7H2,1-2H3

InChIKey

IZDWRAMQIRMQIA-UHFFFAOYSA-N

Compound name

7-methyl-3-methylideneoct-6-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 149.12045 Da
Monoisotopic Mass: 3.2
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]+	150.12773	135.6
[M+Na]+	172.10967	143.5
[M-H]-	148.11317	136.2
[M+NH4]+	167.15427	155.0
[M+K]+	188.08361	141.6
[M+H-H2O]+	132.11771	124.5
[M+HCOO]-	194.11865	153.5
[M+CH3COO]-	208.13430	192.2
[M+Na-2H]-	170.09512	138.4
[M]+	149.11990	130.8
[M]-	149.12100	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe