CID 111442

68922-14-5

Structural Information

Molecular Formula

C₁₅H₃₀O₂

SMILES

CC(C)CC(C)CC(C)CC(C)COC(=O)C

InChI

InChI=1S/C15H30O2/c1-11(2)7-12(3)8-13(4)9-14(5)10-17-15(6)16/h11-14H,7-10H2,1-6H3

InChIKey

AMLPNPAJXVKDCP-UHFFFAOYSA-N

Compound name

2,4,6,8-tetramethylnonyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 11
Patents: 242.22458 Da
Monoisotopic Mass: 5.3
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	165.7
[M+Na]+	265.21380	168.6
[M-H]-	241.21730	164.9
[M+NH4]+	260.25840	183.3
[M+K]+	281.18774	168.7
[M+H-H2O]+	225.22184	160.1
[M+HCOO]-	287.22278	182.3
[M+CH3COO]-	301.23843	201.0
[M+Na-2H]-	263.19925	161.8
[M]+	242.22403	169.3
[M]-	242.22513	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe