CID 3018662

Methyl 3,3-dimethoxy-2-methylpropanoate

Structural Information

Molecular Formula

C₇H₁₄O₄

SMILES

CC(C(OC)OC)C(=O)OC

InChI

InChI=1S/C7H14O4/c1-5(6(8)9-2)7(10-3)11-4/h5,7H,1-4H3

InChIKey

CBFKVFFWFXUWDK-UHFFFAOYSA-N

Compound name

methyl 3,3-dimethoxy-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 162.0892 Da
Monoisotopic Mass: 0.5
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]+	163.09648	134.2
[M+Na]+	185.07842	140.6
[M-H]-	161.08192	134.6
[M+NH4]+	180.12302	154.9
[M+K]+	201.05236	142.9
[M+H-H2O]+	145.08646	129.4
[M+HCOO]-	207.08740	155.9
[M+CH3COO]-	221.10305	179.2
[M+Na-2H]-	183.06387	137.1
[M]+	162.08865	139.0
[M]-	162.08975	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe