CID 10954423

5h,6h,7h-pyrrolo[3,4-d]pyrimidine dihydrochloride

Structural Information

Molecular Formula
C6H7N3
SMILES
C1C2=CN=CN=C2CN1
InChI
InChI=1S/C6H7N3/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H2
InChIKey
NBXIOQTYZWAAEB-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

121.063995 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 122.0
[M+Na]+ 144.05321 130.8
[M-H]- 120.05672 121.0
[M+NH4]+ 139.09782 142.3
[M+K]+ 160.02715 128.1
[M+H-H2O]+ 104.06126 114.6
[M+HCOO]- 166.06220 141.4
[M+CH3COO]- 180.07785 135.2
[M+Na-2H]- 142.03866 130.8
[M]+ 121.06345 118.7
[M]- 121.06454 118.7
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