CID 19767911

43161-30-4

Structural Information

Molecular Formula

SMILES

COC(=O)C1(CC1)CBr

InChI

InChI=1S/C6H9BrO2/c1-9-5(8)6(4-7)2-3-6/h2-4H2,1H3

InChIKey

GPFGVZAQKJPYAT-UHFFFAOYSA-N

Compound name

methyl 1-(bromomethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 191.97859 Da
Monoisotopic Mass: 1.2
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]+	192.98587	134.1
[M+Na]+	214.96781	147.4
[M-H]-	190.97131	141.7
[M+NH4]+	210.01241	154.4
[M+K]+	230.94175	138.0
[M+H-H2O]+	174.97585	135.2
[M+HCOO]-	236.97679	155.2
[M+CH3COO]-	250.99244	182.6
[M+Na-2H]-	212.95326	142.5
[M]+	191.97804	155.9
[M]-	191.97914	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe