CID 103749

53153-67-6

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CCCCCCC(=C(C)C#N)C

InChI

InChI=1S/C11H19N/c1-4-5-6-7-8-10(2)11(3)9-12/h4-8H2,1-3H3

InChIKey

FCYCBANDFCFMCL-UHFFFAOYSA-N

Compound name

2,3-dimethylnon-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 165.15175 Da
Monoisotopic Mass: 4.4
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]+	166.15903	140.0
[M+Na]+	188.14097	147.2
[M-H]-	164.14447	140.4
[M+NH4]+	183.18557	158.9
[M+K]+	204.11491	145.6
[M+H-H2O]+	148.14901	128.6
[M+HCOO]-	210.14995	157.4
[M+CH3COO]-	224.16560	195.7
[M+Na-2H]-	186.12642	142.4
[M]+	165.15120	136.2
[M]-	165.15230	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe