CID 13557092

Tert-butyl chloromethyl carbonate

Structural Information

Molecular Formula

C₆H₁₁ClO₃

SMILES

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

InChI

InChI=1S/C6H11ClO3/c1-6(2,3)10-5(8)9-4-7/h4H2,1-3H3

InChIKey

HGHYERVLYRBRPJ-UHFFFAOYSA-N

Compound name

tert-butyl chloromethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 166.03967 Da
Monoisotopic Mass: 2.2
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]+	167.04695	131.4
[M+Na]+	189.02889	140.2
[M-H]-	165.03239	132.3
[M+NH4]+	184.07349	153.4
[M+K]+	205.00283	139.5
[M+H-H2O]+	149.03693	128.5
[M+HCOO]-	211.03787	149.3
[M+CH3COO]-	225.05352	175.2
[M+Na-2H]-	187.01434	137.8
[M]+	166.03912	136.9
[M]-	166.04022	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe