CID 13398829

1-butanol, 2-bromo-

Structural Information

Molecular Formula

SMILES

CCC(CO)Br

InChI

InChI=1S/C4H9BrO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3

InChIKey

LMEOVPMTQBNCFK-UHFFFAOYSA-N

Compound name

2-bromobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 157
Patents: 151.98367 Da
Monoisotopic Mass: 1.3
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]+	152.99095	124.4
[M+Na]+	174.97289	125.9
[M+NH4]+	170.01749	129.3
[M+K]+	190.94683	126.9
[M-H]-	150.97639	122.7
[M+Na-2H]-	172.95834	125.8
[M]+	151.98312	122.8
[M]-	151.98422	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe