CID 75406

2372-21-6

Structural Information

Molecular Formula

C₈H₁₆O₄

SMILES

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

InChI

InChI=1S/C8H16O4/c1-6(2)10-7(9)11-12-8(3,4)5/h6H,1-5H3

InChIKey

KDGNCLDCOVTOCS-UHFFFAOYSA-N

Compound name

(2-methylpropan-2-yl)oxy propan-2-yl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28348
Patents: 176.10486 Da
Monoisotopic Mass: 2.4
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]+	177.11214	138.1
[M+Na]+	199.09408	145.0
[M-H]-	175.09758	138.7
[M+NH4]+	194.13868	158.7
[M+K]+	215.06802	147.0
[M+H-H2O]+	159.10212	133.9
[M+HCOO]-	221.10306	159.1
[M+CH3COO]-	235.11871	180.3
[M+Na-2H]-	197.07953	142.6
[M]+	176.10431	143.4
[M]-	176.10541	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe