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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.055676	137.7
[M+Na]+	219.037618	146.3
[M-H]-	195.041124	139.0
[M+NH4]+	214.082223	155.1
[M+K]+	235.011558	145.6
[M+H-H2O]+	179.045660	131.3
[M+HCOO]-	241.046601	155.5
[M+CH3COO]-	255.062251	179.1
[M+Na-2H]-	217.023066	142.8
[M]+	196.04785142	138.2
[M]-	196.04894858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.