CID 72326867

2-octenenitrile, 3,5,7-trimethyl-

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

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

InChI

InChI=1S/C11H19N/c1-9(2)7-11(4)8-10(3)5-6-12/h5,9,11H,7-8H2,1-4H3

InChIKey

XVHLRCQZSUEKKE-UHFFFAOYSA-N

Compound name

3,5,7-trimethyloct-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 165.15175 Da
Monoisotopic Mass: 4.0
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]+	166.15903	140.7
[M+Na]+	188.14097	149.8
[M+NH4]+	183.18557	144.9
[M+K]+	204.11491	141.4
[M-H]-	164.14447	133.1
[M+Na-2H]-	186.12642	141.2
[M]+	165.15120	138.8
[M]-	165.15230	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe