CID 6554

2-bromobutane

Structural Information

Molecular Formula

SMILES

CCC(C)Br

InChI

InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3

InChIKey

UPSXAPQYNGXVBF-UHFFFAOYSA-N

Compound name

2-bromobutane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 4271
Patents: 135.98875 Da
Monoisotopic Mass: 2.3
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]+	136.99603	120.1
[M+Na]+	158.97797	122.5
[M+NH4]+	154.02257	125.8
[M+K]+	174.95191	122.9
[M-H]-	134.98147	119.4
[M+Na-2H]-	156.96342	122.5
[M]+	135.98820	119.0
[M]-	135.98930	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe