CID 2733872

Tert-butyl methyl malonate

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

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

InChI

InChI=1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3

InChIKey

XPSYZCWYRWHVCC-UHFFFAOYSA-N

Compound name

3-O-tert-butyl 1-O-methyl propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1113
Patents: 174.0892 Da
Monoisotopic Mass: 1.1
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]+	175.09648	137.6
[M+Na]+	197.07842	146.0
[M+NH4]+	192.12302	143.4
[M+K]+	213.05236	143.5
[M-H]-	173.08192	134.5
[M+Na-2H]-	195.06387	139.3
[M]+	174.08865	137.6
[M]-	174.08975	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe