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: 488
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	125.3
[M+Na]+	174.97289	136.1
[M-H]-	150.97639	127.3
[M+NH4]+	170.01749	149.3
[M+K]+	190.94683	126.5
[M+H-H2O]+	134.98093	126.6
[M+HCOO]-	196.98187	145.0
[M+CH3COO]-	210.99752	172.6
[M+Na-2H]-	172.95834	132.6
[M]+	151.98312	143.0
[M]-	151.98422	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe