CID 132353911

2137515-95-6

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CC(C)(C)OC(=O)N1CC2=NC=NC=C2C1C(=O)O
InChI
InChI=1S/C12H15N3O4/c1-12(2,3)19-11(18)15-5-8-7(4-13-6-14-8)9(15)10(16)17/h4,6,9H,5H2,1-3H3,(H,16,17)
InChIKey
MISHHKREHNGBKS-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.10626 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 158.7
[M+Na]+ 288.09548 167.7
[M+NH4]+ 283.14008 163.2
[M+K]+ 304.06942 167.4
[M-H]- 264.09898 155.6
[M+Na-2H]- 286.08093 160.3
[M]+ 265.10571 158.6
[M]- 265.10681 158.6
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

patents stripe