CID 93634

57322-59-5

Structural Information

Molecular Formula

C₁₁H₁₅ClO₄

SMILES

CC(=C)C(=O)OCC(CCl)OC(=O)C(=C)C

InChI

InChI=1S/C11H15ClO4/c1-7(2)10(13)15-6-9(5-12)16-11(14)8(3)4/h9H,1,3,5-6H2,2,4H3

InChIKey

QGDHNMDUMGMVAO-UHFFFAOYSA-N

Compound name

[3-chloro-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 246.06589 Da
Monoisotopic Mass: 2.6
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]+	247.07317	153.0
[M+Na]+	269.05511	161.0
[M+NH4]+	264.09971	157.9
[M+K]+	285.02905	158.0
[M-H]-	245.05861	149.3
[M+Na-2H]-	267.04056	153.1
[M]+	246.06534	152.8
[M]-	246.06644	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe