CID 10877471

3-bromo-2,2-dimethylpropanal

Structural Information

Molecular Formula
C5H9BrO
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

24
Patents

163.98367 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 126.9
[M+Na]+ 186.97289 138.8
[M-H]- 162.97639 130.4
[M+NH4]+ 182.01749 151.3
[M+K]+ 202.94683 129.2
[M+H-H2O]+ 146.98093 128.6
[M+HCOO]- 208.98187 147.5
[M+CH3COO]- 222.99752 176.6
[M+Na-2H]- 184.95834 136.1
[M]+ 163.98312 146.4
[M]- 163.98422 146.4
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