CID 135741873

1545120-46-4

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1COCC2=C1N=CNC2=O

InChI

InChI=1S/C7H8N2O2/c10-7-5-3-11-2-1-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)

InChIKey

MHOKXAQITUOCRL-UHFFFAOYSA-N

Compound name

3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 152.05858 Da
Monoisotopic Mass: -1.0
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]+	153.065856	127.3
[M+Na]+	175.047798	135.9
[M-H]-	151.051304	128.3
[M+NH4]+	170.092403	144.7
[M+K]+	191.021738	134.2
[M+H-H2O]+	135.055840	120.2
[M+HCOO]-	197.056781	145.1
[M+CH3COO]-	211.072431	140.2
[M+Na-2H]-	173.033246	137.4
[M]+	152.05803142	124.8
[M]-	152.05912858	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe