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]+ 236.114196 152.5
[M+Na]+ 258.096138 165.6
[M-H]- 234.099644 152.1
[M+NH4]+ 253.140743 167.6
[M+K]+ 274.070078 160.4
[M+H-H2O]+ 218.104180 145.0
[M+HCOO]- 280.105121 172.3
[M+CH3COO]- 294.120771 193.3
[M+Na-2H]- 256.081586 155.6
[M]+ 235.10637142 154.4
[M]- 235.10746858 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.