CID 10219638

Di-tert-butyl carbonate

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

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

InChI

InChI=1S/C9H18O3/c1-8(2,3)11-7(10)12-9(4,5)6/h1-6H3

InChIKey

ODCCJTMPMUFERV-UHFFFAOYSA-N

Compound name

ditert-butyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 17240
Patents: 174.1256 Da
Monoisotopic Mass: 2.5
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]+	175.13288	140.1
[M+Na]+	197.11482	148.8
[M+NH4]+	192.15942	146.5
[M+K]+	213.08876	146.0
[M-H]-	173.11832	137.4
[M+Na-2H]-	195.10027	142.5
[M]+	174.12505	140.4
[M]-	174.12615	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe