CID 111177

3,7-nonadienenitrile, 4,8-dimethyl-

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

InChI=1S/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7H2,1-3H3

InChIKey

FRTXHDQZMMZCOJ-UHFFFAOYSA-N

Compound name

4,8-dimethylnona-3,7-dienenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 35
Patents: 163.1361 Da
Monoisotopic Mass: 3.4
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]+	164.143376	139.9
[M+Na]+	186.125318	147.5
[M-H]-	162.128824	140.5
[M+NH4]+	181.169923	158.9
[M+K]+	202.099258	145.3
[M+H-H2O]+	146.133360	128.6
[M+HCOO]-	208.134301	157.5
[M+CH3COO]-	222.149951	194.3
[M+Na-2H]-	184.110766	142.2
[M]+	163.13555142	135.4
[M]-	163.13664858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe