CID 122163218

1935886-94-4

Structural Information

Molecular Formula
C7H7BrN2O3
SMILES
C1COCC2=NC(=C(N21)C(=O)O)Br
InChI
InChI=1S/C7H7BrN2O3/c8-6-5(7(11)12)10-1-2-13-3-4(10)9-6/h1-3H2,(H,11,12)
InChIKey
OCXVCYCSLWYWLQ-UHFFFAOYSA-N
Compound name
2-bromo-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.964 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97128 147.1
[M+Na]+ 268.95322 148.5
[M+NH4]+ 263.99782 150.5
[M+K]+ 284.92716 152.1
[M-H]- 244.95672 146.1
[M+Na-2H]- 266.93867 146.5
[M]+ 245.96345 145.5
[M]- 245.96455 145.5
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.