CID 83920241

2803861-39-2

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)C(=O)O
InChI
InChI=1S/C12H15N3O4/c1-12(2,3)19-11(18)15-5-7-4-13-9(10(16)17)14-8(7)6-15/h4H,5-6H2,1-3H3,(H,16,17)
InChIKey
MEUGNYYOKJBAMC-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10626 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 160.5
[M+Na]+ 288.09548 168.5
[M-H]- 264.09898 160.2
[M+NH4]+ 283.14008 175.4
[M+K]+ 304.06942 166.9
[M+H-H2O]+ 248.10352 153.6
[M+HCOO]- 310.10446 175.4
[M+CH3COO]- 324.12011 192.8
[M+Na-2H]- 286.08093 163.7
[M]+ 265.10571 162.4
[M]- 265.10681 162.4
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.