CID 12867480

1-bromocyclopropanecarboxylic acid

Structural Information

Molecular Formula

SMILES

C1CC1(C(=O)O)Br

InChI

InChI=1S/C4H5BrO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)

InChIKey

LGHSAVSEBATWBX-UHFFFAOYSA-N

Compound name

1-bromocyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 163.9473 Da
Monoisotopic Mass: 0.9
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]+	164.95458	125.2
[M+Na]+	186.93652	138.8
[M-H]-	162.94002	131.8
[M+NH4]+	181.98112	145.8
[M+K]+	202.91046	128.9
[M+H-H2O]+	146.94456	126.8
[M+HCOO]-	208.94550	145.5
[M+CH3COO]-	222.96115	175.4
[M+Na-2H]-	184.92197	134.1
[M]+	163.94675	144.7
[M]-	163.94785	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.