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

3
Annotation Hits: 0
References: 10151
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	165.0
[M+Na]+	265.21380	169.1
[M-H]-	241.21730	164.4
[M+NH4]+	260.25840	183.1
[M+K]+	281.18774	168.2
[M+H-H2O]+	225.22184	159.9
[M+HCOO]-	287.22278	183.2
[M+CH3COO]-	301.23843	198.0
[M+Na-2H]-	263.19925	165.7
[M]+	242.22403	170.1
[M]-	242.22513	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe