CID 14800980

133217-74-0

Structural Information

Molecular Formula

C₇H₁₁ClO₄

SMILES

CC(C)(C)C(=O)OCOC(=O)Cl

InChI

InChI=1S/C7H11ClO4/c1-7(2,3)5(9)11-4-12-6(8)10/h4H2,1-3H3

InChIKey

DVOIGCMLEMFBBP-UHFFFAOYSA-N

Compound name

carbonochloridoyloxymethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 194.03459 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]+	195.04187	136.4
[M+Na]+	217.02381	144.9
[M-H]-	193.02731	137.3
[M+NH4]+	212.06841	157.1
[M+K]+	232.99775	144.2
[M+H-H2O]+	177.03185	133.4
[M+HCOO]-	239.03279	153.5
[M+CH3COO]-	253.04844	180.1
[M+Na-2H]-	215.00926	141.3
[M]+	194.03404	142.5
[M]-	194.03514	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe