CID 135667605

Furo[3,2-d]pyrimidin-4-ol

Structural Information

Molecular Formula

C₆H₄N₂O₂

SMILES

C1=COC2=C1N=CNC2=O

InChI

InChI=1S/C6H4N2O2/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)

InChIKey

FBCBUVHNVPZUTE-UHFFFAOYSA-N

Compound name

3H-furo[3,2-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 136.02728 Da
Monoisotopic Mass: 0.1
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]+	137.03456	119.3
[M+Na]+	159.01650	131.4
[M-H]-	135.02000	121.6
[M+NH4]+	154.06110	139.6
[M+K]+	174.99044	129.6
[M+H-H2O]+	119.02454	113.2
[M+HCOO]-	181.02548	142.6
[M+CH3COO]-	195.04113	134.7
[M+Na-2H]-	157.00195	130.3
[M]+	136.02673	121.5
[M]-	136.02783	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe