CID 776814

332897-87-7

Structural Information

Molecular Formula
C10H14N6O2
SMILES
CC(=C)CN1C2=C(N=C1NN)N(C(=O)NC2=O)C
InChI
InChI=1S/C10H14N6O2/c1-5(2)4-16-6-7(12-9(16)14-11)15(3)10(18)13-8(6)17/h1,4,11H2,2-3H3,(H,12,14)(H,13,17,18)
InChIKey
PKMQWHQHBLMYHB-UHFFFAOYSA-N
Compound name
8-hydrazinyl-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

250.11783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 156.4
[M+Na]+ 273.10705 168.6
[M-H]- 249.11055 156.1
[M+NH4]+ 268.15165 170.6
[M+K]+ 289.08099 163.4
[M+H-H2O]+ 233.11509 148.5
[M+HCOO]- 295.11603 177.2
[M+CH3COO]- 309.13168 198.6
[M+Na-2H]- 271.09250 160.2
[M]+ 250.11728 157.6
[M]- 250.11838 157.6
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

No patent data available for this compound.