CID 452997

136083-19-7

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C=CC(CO)OCN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C10H13N5O2/c1-2-7(3-16)17-6-15-5-14-8-9(11)12-4-13-10(8)15/h2,4-5,7,16H,1,3,6H2,(H2,11,12,13)
InChIKey
NIHYKZSIAAAEBZ-UHFFFAOYSA-N
Compound name
2-[(6-aminopurin-9-yl)methoxy]but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.114196 151.4
[M+Na]+ 258.096138 161.2
[M-H]- 234.099644 149.7
[M+NH4]+ 253.140743 165.6
[M+K]+ 274.070078 157.3
[M+H-H2O]+ 218.104180 142.7
[M+HCOO]- 280.105121 170.9
[M+CH3COO]- 294.120771 190.9
[M+Na-2H]- 256.081586 157.0
[M]+ 235.10637142 153.5
[M]- 235.10746858 153.5
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.