CID 135426860

91184-34-8

Structural Information

Molecular Formula
C6H6N4O2
SMILES
C1C2=C(C(=O)N1)N=C(NC2=O)N
InChI
InChI=1S/C6H6N4O2/c7-6-9-3-2(4(11)10-6)1-8-5(3)12/h1H2,(H,8,12)(H3,7,9,10,11)
InChIKey
BYFPJRGDCJUKTC-UHFFFAOYSA-N
Compound name
2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04907 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05635 131.8
[M+Na]+ 189.03829 142.4
[M-H]- 165.04179 130.2
[M+NH4]+ 184.08289 149.7
[M+K]+ 205.01223 138.1
[M+H-H2O]+ 149.04633 125.1
[M+HCOO]- 211.04727 150.8
[M+CH3COO]- 225.06292 173.7
[M+Na-2H]- 187.02374 137.4
[M]+ 166.04852 127.6
[M]- 166.04962 127.6
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

No patent data available for this compound.