CID 165656020

2751610-92-9

Structural Information

Molecular Formula

C₇H₁₁BrO₃

SMILES

C1COCC1(CC(=O)O)CBr

InChI

InChI=1S/C7H11BrO3/c8-4-7(3-6(9)10)1-2-11-5-7/h1-5H2,(H,9,10)

InChIKey

OXEAVIRTQDGGHX-UHFFFAOYSA-N

Compound name

2-[3-(bromomethyl)oxolan-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.98917 Da
Monoisotopic Mass: 0.6
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]+	222.996446	142.5
[M+Na]+	244.978388	152.4
[M-H]-	220.981894	147.7
[M+NH4]+	240.022993	165.7
[M+K]+	260.952328	143.7
[M+H-H2O]+	204.986430	144.2
[M+HCOO]-	266.987371	160.6
[M+CH3COO]-	281.003021	179.8
[M+Na-2H]-	242.963836	148.9
[M]+	221.98862142	160.2
[M]-	221.98971858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.