CID 82413449

5h,6h,8h-imidazo[4,3-c][1,4]oxazine-1-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1COCC2=C(N=CN21)C(=O)O
InChI
InChI=1S/C7H8N2O3/c10-7(11)6-5-3-12-2-1-9(5)4-8-6/h4H,1-3H2,(H,10,11)
InChIKey
WIIFWTGAOKZUMC-UHFFFAOYSA-N
Compound name
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

168.0535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 131.6
[M+Na]+ 191.042718 139.6
[M-H]- 167.046224 132.7
[M+NH4]+ 186.087323 150.0
[M+K]+ 207.016658 139.3
[M+H-H2O]+ 151.050760 125.1
[M+HCOO]- 213.051701 149.4
[M+CH3COO]- 227.067351 173.5
[M+Na-2H]- 189.028166 137.8
[M]+ 168.05295142 130.6
[M]- 168.05404858 130.6
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.