CID 101060

2-bromo-3,3-dimethoxypropanal

Structural Information

Molecular Formula
C5H9BrO3
SMILES
COC(C(C=O)Br)OC
InChI
InChI=1S/C5H9BrO3/c1-8-5(9-2)4(6)3-7/h3-5H,1-2H3
InChIKey
NSKAHUQUMMQTTA-UHFFFAOYSA-N
Compound name
2-bromo-3,3-dimethoxypropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.97351 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.98079 132.0
[M+Na]+ 218.96273 132.7
[M+NH4]+ 214.00733 135.6
[M+K]+ 234.93667 134.8
[M-H]- 194.96623 129.3
[M+Na-2H]- 216.94818 132.4
[M]+ 195.97296 129.9
[M]- 195.97406 129.9
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