CID 90495

Di-tert-butyl dicarbonate

Structural Information

Molecular Formula

C₁₀H₁₈O₅

SMILES

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

InChI

InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3

InChIKey

DYHSDKLCOJIUFX-UHFFFAOYSA-N

Compound name

tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 29
References: 73811
Patents: 218.11542 Da
Monoisotopic Mass: 2.7
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]+	219.12270	148.5
[M+Na]+	241.10464	155.8
[M+NH4]+	236.14924	153.2
[M+K]+	257.07858	154.6
[M-H]-	217.10814	144.1
[M+Na-2H]-	239.09009	149.3
[M]+	218.11487	147.9
[M]-	218.11597	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe