CID 145913295

(4-bromo-3-methoxy-1,2-oxazol-5-yl)methanol

Structural Information

Molecular Formula
C5H6BrNO3
SMILES
COC1=NOC(=C1Br)CO
InChI
InChI=1S/C5H6BrNO3/c1-9-5-4(6)3(2-8)10-7-5/h8H,2H2,1H3
InChIKey
FLVFDKSZINPXLH-UHFFFAOYSA-N
Compound name
(4-bromo-3-methoxy-1,2-oxazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.95311 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.96039 132.4
[M+Na]+ 229.94233 145.8
[M-H]- 205.94583 137.5
[M+NH4]+ 224.98693 153.9
[M+K]+ 245.91627 137.3
[M+H-H2O]+ 189.95037 132.8
[M+HCOO]- 251.95131 153.5
[M+CH3COO]- 265.96696 178.5
[M+Na-2H]- 227.92778 140.4
[M]+ 206.95256 154.2
[M]- 206.95366 154.2
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.