CID 59634433

2306262-11-1

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

C1COCC2=C1C(=NC=N2)Cl

InChI

InChI=1S/C7H7ClN2O/c8-7-5-1-2-11-3-6(5)9-4-10-7/h4H,1-3H2

InChIKey

FJFMIUFKCRYBQJ-UHFFFAOYSA-N

Compound name

4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.02469 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]+	171.03197	130.2
[M+Na]+	193.01391	139.6
[M-H]-	169.01741	132.2
[M+NH4]+	188.05851	148.4
[M+K]+	208.98785	137.3
[M+H-H2O]+	153.02195	123.3
[M+HCOO]-	215.02289	144.3
[M+CH3COO]-	229.03854	143.4
[M+Na-2H]-	190.99936	140.2
[M]+	170.02414	130.5
[M]-	170.02524	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe