CID 94568

Vinyl neononanoate

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)(C)CCCCC(=O)OC=C

InChI

InChI=1S/C11H20O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h5H,1,6-9H2,2-4H3

InChIKey

WBZPMFHFKXZDRZ-UHFFFAOYSA-N

Compound name

ethenyl 6,6-dimethylheptanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3247
Patents: 184.14633 Da
Monoisotopic Mass: 3.7
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]+	185.15361	144.8
[M+Na]+	207.13555	151.1
[M-H]-	183.13905	144.8
[M+NH4]+	202.18015	165.2
[M+K]+	223.10949	150.2
[M+H-H2O]+	167.14359	140.4
[M+HCOO]-	229.14453	165.5
[M+CH3COO]-	243.16018	184.2
[M+Na-2H]-	205.12100	148.9
[M]+	184.14578	148.4
[M]-	184.14688	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe