CID 3076531

131627-55-9

Structural Information

Molecular Formula
C9H10N4O2
SMILES
C1CC1CN2C3=C(C(=O)NC2=O)NC=N3
InChI
InChI=1S/C9H10N4O2/c14-8-6-7(11-4-10-6)13(9(15)12-8)3-5-1-2-5/h4-5H,1-3H2,(H,10,11)(H,12,14,15)
InChIKey
HWIMWAMLHNOMRW-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethyl)-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.087646 154.1
[M+Na]+ 229.069588 168.2
[M-H]- 205.073094 155.7
[M+NH4]+ 224.114193 164.9
[M+K]+ 245.043528 160.2
[M+H-H2O]+ 189.077630 146.1
[M+HCOO]- 251.078571 173.4
[M+CH3COO]- 265.094221 165.7
[M+Na-2H]- 227.055036 159.3
[M]+ 206.07982142 156.7
[M]- 206.08091858 156.7
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