CID 10198702

Isodecyl pivalate

Structural Information

Molecular Formula

C₁₅H₃₀O₂

SMILES

CC(C)CCCCCCCOC(=O)C(C)(C)C

InChI

InChI=1S/C15H30O2/c1-13(2)11-9-7-6-8-10-12-17-14(16)15(3,4)5/h13H,6-12H2,1-5H3

InChIKey

KGKQNDQDVZQTAG-UHFFFAOYSA-N

Compound name

8-methylnonyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10003
Patents: 242.22458 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]+	243.23186	163.5
[M+Na]+	265.21380	171.5
[M+NH4]+	260.25840	169.6
[M+K]+	281.18774	166.2
[M-H]-	241.21730	161.5
[M+Na-2H]-	263.19925	164.5
[M]+	242.22403	163.9
[M]-	242.22513	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe