CID 376610

Nsc657621

Structural Information

Molecular Formula
C10H11N5O2
SMILES
C=CCOC(=O)CN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C10H11N5O2/c1-2-3-17-7(16)4-15-6-14-8-9(11)12-5-13-10(8)15/h2,5-6H,1,3-4H2,(H2,11,12,13)
InChIKey
SKWUSSUTTOOGAL-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-(6-aminopurin-9-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09128 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 150.5
[M+Na]+ 256.08050 161.1
[M-H]- 232.08400 150.2
[M+NH4]+ 251.12510 165.5
[M+K]+ 272.05444 157.4
[M+H-H2O]+ 216.08854 141.6
[M+HCOO]- 278.08948 171.7
[M+CH3COO]- 292.10513 191.8
[M+Na-2H]- 254.06595 156.5
[M]+ 233.09073 153.6
[M]- 233.09183 153.6
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.