CID 205966

Debropol

Structural Information

Molecular Formula
C3H6BrNO3
SMILES
CC(CO)([N+](=O)[O-])Br
InChI
InChI=1S/C3H6BrNO3/c1-3(4,2-6)5(7)8/h6H,2H2,1H3
InChIKey
NYWJACXVDUOPFY-UHFFFAOYSA-N
Compound name
2-bromo-2-nitropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

182.95311 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.96039 132.1
[M+Na]+ 205.94233 133.4
[M+NH4]+ 200.98693 136.0
[M+K]+ 221.91627 137.8
[M-H]- 181.94583 130.4
[M+Na-2H]- 203.92778 132.5
[M]+ 182.95256 130.4
[M]- 182.95366 130.4
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