CID 135409086

Nsc657616

Structural Information

Molecular Formula
C9H11N5O2
SMILES
C=CCOCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C9H11N5O2/c1-2-3-16-5-14-4-11-6-7(14)12-9(10)13-8(6)15/h2,4H,1,3,5H2,(H3,10,12,13,15)
InChIKey
WQFPUEKQQCRHDW-UHFFFAOYSA-N
Compound name
2-amino-9-(prop-2-enoxymethyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09128 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09856 146.9
[M+Na]+ 244.08050 158.7
[M-H]- 220.08400 145.6
[M+NH4]+ 239.12510 162.1
[M+K]+ 260.05444 153.8
[M+H-H2O]+ 204.08854 138.6
[M+HCOO]- 266.08948 167.9
[M+CH3COO]- 280.10513 187.5
[M+Na-2H]- 242.06595 153.3
[M]+ 221.09073 148.9
[M]- 221.09183 148.9
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.