CID 11105707

2-bromo-3-methylbutanal

Structural Information

Molecular Formula
C5H9BrO
SMILES
CC(C)C(C=O)Br
InChI
InChI=1S/C5H9BrO/c1-4(2)5(6)3-7/h3-5H,1-2H3
InChIKey
PYXPYXVGFLQQIS-UHFFFAOYSA-N
Compound name
2-bromo-3-methylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

163.98367 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 125.7
[M+Na]+ 186.97289 127.3
[M+NH4]+ 182.01749 130.4
[M+K]+ 202.94683 128.5
[M-H]- 162.97639 124.0
[M+Na-2H]- 184.95834 127.0
[M]+ 163.98312 124.1
[M]- 163.98422 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe