CID 11713

2-bromopropan-1-ol

Structural Information

Molecular Formula

SMILES

CC(CO)Br

InChI

InChI=1S/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3

InChIKey

DBTWOTKWIVISQR-UHFFFAOYSA-N

Compound name

2-bromopropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2987
Patents: 137.96803 Da
Monoisotopic Mass: 0.7
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]+	138.97531	120.6
[M+Na]+	160.95725	131.9
[M-H]-	136.96075	122.8
[M+NH4]+	156.00185	145.1
[M+K]+	176.93119	122.5
[M+H-H2O]+	120.96529	122.1
[M+HCOO]-	182.96623	140.6
[M+CH3COO]-	196.98188	169.8
[M+Na-2H]-	158.94270	128.5
[M]+	137.96748	138.0
[M]-	137.96858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe