CID 117270

25677-83-2

Structural Information

Molecular Formula

C₁₅H₂₄O₆

SMILES

CC(CC(C)(C)CC(=O)OCC1CO1)C(=O)OCC2CO2

InChI

InChI=1S/C15H24O6/c1-10(14(17)21-9-12-7-19-12)4-15(2,3)5-13(16)20-8-11-6-18-11/h10-12H,4-9H2,1-3H3

InChIKey

UYCWWICJTSIJIU-UHFFFAOYSA-N

Compound name

bis(oxiran-2-ylmethyl) 2,4,4-trimethylhexanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 300.1573 Da
Monoisotopic Mass: 1.4
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]+	301.164576	174.3
[M+Na]+	323.146518	179.2
[M-H]-	299.150024	182.0
[M+NH4]+	318.191123	176.7
[M+K]+	339.120458	180.4
[M+H-H2O]+	283.154560	167.7
[M+HCOO]-	345.155501	188.4
[M+CH3COO]-	359.171151	212.1
[M+Na-2H]-	321.131966	175.6
[M]+	300.15675142	185.3
[M]-	300.15784858	185.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe