CID 3017396

3-(allyloxy)-2-bromopropan-1-ol

Structural Information

Molecular Formula

C₆H₁₁BrO₂

SMILES

C=CCOCC(CO)Br

InChI

InChI=1S/C6H11BrO2/c1-2-3-9-5-6(7)4-8/h2,6,8H,1,3-5H2

InChIKey

LOESVTJXRAAZKI-UHFFFAOYSA-N

Compound name

2-bromo-3-prop-2-enoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.99425 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]+	195.001526	135.3
[M+Na]+	216.983468	145.6
[M-H]-	192.986974	137.0
[M+NH4]+	212.028073	157.6
[M+K]+	232.957408	135.2
[M+H-H2O]+	176.991510	136.0
[M+HCOO]-	238.992451	154.8
[M+CH3COO]-	253.008101	179.2
[M+Na-2H]-	214.968916	141.6
[M]+	193.99370142	154.5
[M]-	193.99479858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe