CID 82417357

5h,7h,8h-pyrano[4,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1COCC2=C1N=CN=C2N
InChI
InChI=1S/C7H9N3O/c8-7-5-3-11-2-1-6(5)9-4-10-7/h4H,1-3H2,(H2,8,9,10)
InChIKey
XRKGQDIIBVFKPO-UHFFFAOYSA-N
Compound name
7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 129.0
[M+Na]+ 174.063768 136.9
[M-H]- 150.067274 130.8
[M+NH4]+ 169.108373 146.6
[M+K]+ 190.037708 135.8
[M+H-H2O]+ 134.071810 121.4
[M+HCOO]- 196.072751 148.3
[M+CH3COO]- 210.088401 141.9
[M+Na-2H]- 172.049216 138.9
[M]+ 151.07400142 125.9
[M]- 151.07509858 125.9
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