CID 106954

67905-49-1

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CCCCCCCC(C)COC(=O)C(=C)C

InChI

InChI=1S/C14H26O2/c1-5-6-7-8-9-10-13(4)11-16-14(15)12(2)3/h13H,2,5-11H2,1,3-4H3

InChIKey

HVRYPBMZOOJQMD-UHFFFAOYSA-N

Compound name

2-methylnonyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 226.19328 Da
Monoisotopic Mass: 5.7
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]+	227.200556	159.7
[M+Na]+	249.182498	163.7
[M-H]-	225.186004	158.9
[M+NH4]+	244.227103	178.0
[M+K]+	265.156438	162.5
[M+H-H2O]+	209.190540	154.1
[M+HCOO]-	271.191481	178.9
[M+CH3COO]-	285.207131	195.3
[M+Na-2H]-	247.167946	158.8
[M]+	226.19273142	163.6
[M]-	226.19382858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe