CID 88432

20241-99-0

Structural Information

Molecular Formula

C₁₆H₂₆O₄

SMILES

CCC(COCC=C)(COCC=C)COC(=O)C(=C)C

InChI

InChI=1S/C16H26O4/c1-6-9-18-11-16(8-3,12-19-10-7-2)13-20-15(17)14(4)5/h6-7H,1-2,4,8-13H2,3,5H3

InChIKey

DDZCXKJJOQTKQP-UHFFFAOYSA-N

Compound name

2,2-bis(prop-2-enoxymethyl)butyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 99
Patents: 282.1831 Da
Monoisotopic Mass: 3.1
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]+	283.19038	170.1
[M+Na]+	305.17232	176.9
[M+NH4]+	300.21692	174.0
[M+K]+	321.14626	172.4
[M-H]-	281.17582	166.1
[M+Na-2H]-	303.15777	169.6
[M]+	282.18255	169.5
[M]-	282.18365	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe