CID 154747070

2174001-50-2

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C1COCC2=NC(=C(N21)C(=O)O)C=O
InChI
InChI=1S/C8H8N2O4/c11-3-5-7(8(12)13)10-1-2-14-4-6(10)9-5/h3H,1-2,4H2,(H,12,13)
InChIKey
QDJAJJFOVHDPQK-UHFFFAOYSA-N
Compound name
2-formyl-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

196.0484 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 137.7
[M+Na]+ 219.03762 146.3
[M-H]- 195.04112 139.0
[M+NH4]+ 214.08222 155.1
[M+K]+ 235.01156 145.6
[M+H-H2O]+ 179.04566 131.3
[M+HCOO]- 241.04660 155.5
[M+CH3COO]- 255.06225 179.1
[M+Na-2H]- 217.02307 142.8
[M]+ 196.04785 138.2
[M]- 196.04895 138.2
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.