CID 165940785

2680533-13-3

Structural Information

Molecular Formula
C7H7BrN2O3
SMILES
C1COCC2=C(N=C(N21)Br)C(=O)O
InChI
InChI=1S/C7H7BrN2O3/c8-7-9-5(6(11)12)4-3-13-2-1-10(4)7/h1-3H2,(H,11,12)
InChIKey
PKZSICWKLRXNJN-UHFFFAOYSA-N
Compound name
3-bromo-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-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 143.4
[M+Na]+ 268.95322 155.2
[M-H]- 244.95672 147.5
[M+NH4]+ 263.99782 162.7
[M+K]+ 284.92716 146.2
[M+H-H2O]+ 228.96126 143.3
[M+HCOO]- 290.96220 159.1
[M+CH3COO]- 304.97785 185.1
[M+Na-2H]- 266.93867 149.8
[M]+ 245.96345 161.5
[M]- 245.96455 161.5
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.