CID 68559091

1040278-91-8

Structural Information

Molecular Formula
C5H6BrNO2
SMILES
CC1=C(C(=NO1)CO)Br
InChI
InChI=1S/C5H6BrNO2/c1-3-5(6)4(2-8)7-9-3/h8H,2H2,1H3
InChIKey
DUVOSOWXFVVVBU-UHFFFAOYSA-N
Compound name
(4-bromo-5-methyl-1,2-oxazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

190.95819 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.96547 130.1
[M+Na]+ 213.94741 143.7
[M-H]- 189.95091 135.2
[M+NH4]+ 208.99201 152.3
[M+K]+ 229.92135 134.7
[M+H-H2O]+ 173.95545 130.7
[M+HCOO]- 235.95639 151.0
[M+CH3COO]- 249.97204 176.6
[M+Na-2H]- 211.93286 138.0
[M]+ 190.95764 150.5
[M]- 190.95874 150.5
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.