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

18
Patents

137.05891 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 125.5
[M+Na]+ 160.048128 135.1
[M-H]- 136.051634 123.6
[M+NH4]+ 155.092733 144.7
[M+K]+ 176.022068 131.2
[M+H-H2O]+ 120.056170 118.6
[M+HCOO]- 182.057111 143.8
[M+CH3COO]- 196.072761 138.2
[M+Na-2H]- 158.033576 133.0
[M]+ 137.05836142 121.5
[M]- 137.05945858 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