CID 135416897

3h,4h,5h,6h,7h-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1C2=C(CN1)N=CNC2=O
InChI
InChI=1S/C6H7N3O/c10-6-4-1-7-2-5(4)8-3-9-6/h3,7H,1-2H2,(H,8,9,10)
InChIKey
LGCQRMCNOJGREM-UHFFFAOYSA-N
Compound name
3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

137.05891 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.5
[M+Na]+ 160.04813 135.1
[M-H]- 136.05163 123.6
[M+NH4]+ 155.09273 144.7
[M+K]+ 176.02207 131.2
[M+H-H2O]+ 120.05617 118.6
[M+HCOO]- 182.05711 143.8
[M+CH3COO]- 196.07276 138.2
[M+Na-2H]- 158.03358 133.0
[M]+ 137.05836 121.5
[M]- 137.05946 121.5
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