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

0
Patents

179.06947 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 136.9
[M+Na]+ 202.05869 145.6
[M-H]- 178.06219 136.2
[M+NH4]+ 197.10329 155.0
[M+K]+ 218.03263 143.3
[M+H-H2O]+ 162.06673 129.4
[M+HCOO]- 224.06767 155.2
[M+CH3COO]- 238.08332 176.2
[M+Na-2H]- 200.04414 142.7
[M]+ 179.06892 136.1
[M]- 179.07002 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.