CID 126970851

2-bromo-2-methylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C5H7BrO
SMILES
CC1(CC1C=O)Br
InChI
InChI=1S/C5H7BrO/c1-5(6)2-4(5)3-7/h3-4H,2H2,1H3
InChIKey
BDOOUUOWYSFVTA-UHFFFAOYSA-N
Compound name
2-bromo-2-methylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.96803 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 125.1
[M+Na]+ 184.95725 139.9
[M-H]- 160.96075 133.2
[M+NH4]+ 180.00185 146.9
[M+K]+ 200.93119 130.1
[M+H-H2O]+ 144.96529 126.7
[M+HCOO]- 206.96623 147.2
[M+CH3COO]- 220.98188 179.0
[M+Na-2H]- 182.94270 134.7
[M]+ 161.96748 146.3
[M]- 161.96858 146.3
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

No patent data available for this compound.