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

320
Patents

121.063995 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.071271 122.0
[M+Na]+ 144.053213 130.8
[M-H]- 120.056719 121.0
[M+NH4]+ 139.097818 142.3
[M+K]+ 160.027153 128.1
[M+H-H2O]+ 104.061255 114.6
[M+HCOO]- 166.062196 141.4
[M+CH3COO]- 180.077846 135.2
[M+Na-2H]- 142.038661 130.8
[M]+ 121.06344642 118.7
[M]- 121.06454358 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