CID 122163378

5h,6h,7h-pyrrolo[3,4-d]pyrimidine-2-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C7H7N3O2
SMILES
C1C2=CN=C(N=C2CN1)C(=O)O
InChI
InChI=1S/C7H7N3O2/c11-7(12)6-9-2-4-1-8-3-5(4)10-6/h2,8H,1,3H2,(H,11,12)
InChIKey
UOEYCOVSXSVWIS-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05383 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 132.7
[M+Na]+ 188.043048 141.4
[M-H]- 164.046554 130.8
[M+NH4]+ 183.087653 150.6
[M+K]+ 204.016988 138.4
[M+H-H2O]+ 148.051090 125.6
[M+HCOO]- 210.052031 149.8
[M+CH3COO]- 224.067681 171.4
[M+Na-2H]- 186.028496 138.6
[M]+ 165.05328142 129.8
[M]- 165.05437858 129.8
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.