CID 776805

332099-04-4

Structural Information

Molecular Formula
C10H13N5O2
SMILES
CC(=C)CN1C2=C(N=C1N)N(C(=O)NC2=O)C
InChI
InChI=1S/C10H13N5O2/c1-5(2)4-15-6-7(12-9(15)11)14(3)10(17)13-8(6)16/h1,4H2,2-3H3,(H2,11,12)(H,13,16,17)
InChIKey
HATYSZAHWWDGDB-UHFFFAOYSA-N
Compound name
8-amino-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10692 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 152.5
[M+Na]+ 258.09614 165.6
[M-H]- 234.09964 152.1
[M+NH4]+ 253.14074 167.6
[M+K]+ 274.07008 160.4
[M+H-H2O]+ 218.10418 145.0
[M+HCOO]- 280.10512 172.3
[M+CH3COO]- 294.12077 193.3
[M+Na-2H]- 256.08159 155.6
[M]+ 235.10637 154.4
[M]- 235.10747 154.4
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.