CID 10877471

34795-31-8

Structural Information

Molecular Formula

SMILES

CC(C)(CBr)C=O

InChI

InChI=1S/C5H9BrO/c1-5(2,3-6)4-7/h4H,3H2,1-2H3

InChIKey

GVWHYUOSZCHDOR-UHFFFAOYSA-N

Compound name

3-bromo-2,2-dimethylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 163.98367 Da
Monoisotopic Mass: 1.4
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]+	164.99095	127.7
[M+Na]+	186.97289	129.6
[M+NH4]+	182.01749	132.4
[M+K]+	202.94683	130.4
[M-H]-	162.97639	125.9
[M+Na-2H]-	184.95834	129.5
[M]+	163.98312	126.2
[M]-	163.98422	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe