CID 21554597

36267-73-9

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
CC1=NC2=C(COC2)C(=N1)Cl
InChI
InChI=1S/C7H7ClN2O/c1-4-9-6-3-11-2-5(6)7(8)10-4/h2-3H2,1H3
InChIKey
RNICCCUVAPEBMO-UHFFFAOYSA-N
Compound name
4-chloro-2-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.02469 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03197 131.2
[M+Na]+ 193.01391 142.5
[M-H]- 169.01741 133.9
[M+NH4]+ 188.05851 151.8
[M+K]+ 208.98785 140.2
[M+H-H2O]+ 153.02195 125.2
[M+HCOO]- 215.02289 147.5
[M+CH3COO]- 229.03854 145.6
[M+Na-2H]- 190.99936 138.6
[M]+ 170.02414 134.1
[M]- 170.02524 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe