CID 21941411

623564-43-2

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1COCC2=NC=C(N21)C=O

InChI

InChI=1S/C7H8N2O2/c10-4-6-3-8-7-5-11-2-1-9(6)7/h3-4H,1-2,5H2

InChIKey

WHPNSFZQTFODCZ-UHFFFAOYSA-N

Compound name

6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 152.05858 Da
Monoisotopic Mass: -0.8
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]+	153.06586	129.3
[M+Na]+	175.04780	141.2
[M+NH4]+	170.09240	137.5
[M+K]+	191.02174	137.7
[M-H]-	151.05130	131.0
[M+Na-2H]-	173.03325	133.6
[M]+	152.05803	131.2
[M]-	152.05913	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe