CID 118996636

Methyl 5h,6h,7h-pyrrolo[3,4-d]pyrimidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H9N3O2
SMILES
COC(=O)C1=NC=C2CNCC2=N1
InChI
InChI=1S/C8H9N3O2/c1-13-8(12)7-10-3-5-2-9-4-6(5)11-7/h3,9H,2,4H2,1H3
InChIKey
ZJHBTWZBFFECET-UHFFFAOYSA-N
Compound name
methyl 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.06947 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 136.9
[M+Na]+ 202.058688 145.6
[M-H]- 178.062194 136.2
[M+NH4]+ 197.103293 155.0
[M+K]+ 218.032628 143.3
[M+H-H2O]+ 162.066730 129.4
[M+HCOO]- 224.067671 155.2
[M+CH3COO]- 238.083321 176.2
[M+Na-2H]- 200.044136 142.7
[M]+ 179.06892142 136.1
[M]- 179.07001858 136.1
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.