CID 72213477

2-chloro-7,8-dihydro-5h-pyrano[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1COCC2=CN=C(N=C21)Cl
InChI
InChI=1S/C7H7ClN2O/c8-7-9-3-5-4-11-2-1-6(5)10-7/h3H,1-2,4H2
InChIKey
FPVPWVMJFMWDIQ-UHFFFAOYSA-N
Compound name
2-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

170.02469 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03197 130.4
[M+Na]+ 193.01391 145.7
[M+NH4]+ 188.05851 140.1
[M+K]+ 208.98785 138.5
[M-H]- 169.01741 133.9
[M+Na-2H]- 190.99936 137.5
[M]+ 170.02414 133.9
[M]- 170.02524 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.