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]+ 166.06111 132.7
[M+Na]+ 188.04305 141.4
[M-H]- 164.04655 130.8
[M+NH4]+ 183.08765 150.6
[M+K]+ 204.01699 138.4
[M+H-H2O]+ 148.05109 125.6
[M+HCOO]- 210.05203 149.8
[M+CH3COO]- 224.06768 171.4
[M+Na-2H]- 186.02850 138.6
[M]+ 165.05328 129.8
[M]- 165.05438 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.

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No patent data available for this compound.