CID 121269445

1902162-58-6

Structural Information

Molecular Formula

C₉H₁₅BrO₂

SMILES

CCOC(=O)C1CC1CCCBr

InChI

InChI=1S/C9H15BrO2/c1-2-12-9(11)8-6-7(8)4-3-5-10/h7-8H,2-6H2,1H3

InChIKey

YLLMIJRZYQMAPB-UHFFFAOYSA-N

Compound name

ethyl 2-(3-bromopropyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 234.02554 Da
Monoisotopic Mass: 2.3
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]+	235.03282	146.9
[M+Na]+	257.01476	159.3
[M-H]-	233.01826	154.0
[M+NH4]+	252.05936	164.2
[M+K]+	272.98870	148.2
[M+H-H2O]+	217.02280	146.3
[M+HCOO]-	279.02374	167.4
[M+CH3COO]-	293.03939	192.0
[M+Na-2H]-	255.00021	152.1
[M]+	234.02499	169.5
[M]-	234.02609	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe