CID 578377

2-bromo-2-methylpropanal

Structural Information

Molecular Formula
C4H7BrO
SMILES
CC(C)(C=O)Br
InChI
InChI=1S/C4H7BrO/c1-4(2,5)3-6/h3H,1-2H3
InChIKey
KLTWFFAVGWWIKL-UHFFFAOYSA-N
Compound name
2-bromo-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

902
Patents

149.96803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97531 122.2
[M+Na]+ 172.95725 134.5
[M-H]- 148.96075 125.9
[M+NH4]+ 168.00185 147.1
[M+K]+ 188.93119 125.2
[M+H-H2O]+ 132.96529 124.1
[M+HCOO]- 194.96623 143.1
[M+CH3COO]- 208.98188 173.8
[M+Na-2H]- 170.94270 132.0
[M]+ 149.96748 141.3
[M]- 149.96858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe