CID 101634971

Methyl 2-chloro-3-methylbut-3-enoate

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H9ClO2/c1-4(2)5(7)6(8)9-3/h5H,1H2,2-3H3

InChIKey

FZUVHZZZCYKCFI-UHFFFAOYSA-N

Compound name

methyl 2-chloro-3-methylbut-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.02911 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]+	149.03639	127.9
[M+Na]+	171.01833	138.5
[M+NH4]+	166.06293	135.6
[M+K]+	186.99227	134.1
[M-H]-	147.02183	126.5
[M+Na-2H]-	169.00378	131.1
[M]+	148.02856	129.0
[M]-	148.02966	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.