CID 20521346

Methyl 2-(tert-butoxy)acetate

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

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

InChI

InChI=1S/C7H14O3/c1-7(2,3)10-5-6(8)9-4/h5H2,1-4H3

InChIKey

HEWVGINPCZDHJF-UHFFFAOYSA-N

Compound name

methyl 2-[(2-methylpropan-2-yl)oxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 146.0943 Da
Monoisotopic Mass: 1.0
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]+	147.101576	130.7
[M+Na]+	169.083518	138.3
[M-H]-	145.087024	131.4
[M+NH4]+	164.128123	152.6
[M+K]+	185.057458	139.5
[M+H-H2O]+	129.091560	126.8
[M+HCOO]-	191.092501	152.7
[M+CH3COO]-	205.108151	175.0
[M+Na-2H]-	167.068966	137.0
[M]+	146.09375142	134.9
[M]-	146.09484858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe