CID 3634993

Methyl 2,2-dibromo-1-methylcyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₆H₈Br₂O₂

SMILES

CC1(CC1(Br)Br)C(=O)OC

InChI

InChI=1S/C6H8Br2O2/c1-5(4(9)10-2)3-6(5,7)8/h3H2,1-2H3

InChIKey

IMIWMQAWODLGHY-UHFFFAOYSA-N

Compound name

methyl 2,2-dibromo-1-methylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 269.8891 Da
Monoisotopic Mass: 2.1
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]+	270.896376	137.6
[M+Na]+	292.878318	151.1
[M-H]-	268.881824	145.8
[M+NH4]+	287.922923	157.0
[M+K]+	308.852258	137.1
[M+H-H2O]+	252.886360	147.2
[M+HCOO]-	314.887301	153.2
[M+CH3COO]-	328.902951	200.9
[M+Na-2H]-	290.863766	145.9
[M]+	269.88855142	174.1
[M]-	269.88964858	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe