CID 87885

Chloromethyl pivalate

Structural Information

Molecular Formula

C₆H₁₁ClO₂

SMILES

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

InChI

InChI=1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3

InChIKey

GGRHYQCXXYLUTL-UHFFFAOYSA-N

Compound name

chloromethyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 7870
Patents: 150.04475 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]+	151.05203	129.1
[M+Na]+	173.03397	140.0
[M+NH4]+	168.07857	137.0
[M+K]+	189.00791	135.2
[M-H]-	149.03747	127.7
[M+Na-2H]-	171.01942	132.9
[M]+	150.04420	130.4
[M]-	150.04530	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe