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]+ 236.11420 151.4
[M+Na]+ 258.09614 161.2
[M-H]- 234.09964 149.7
[M+NH4]+ 253.14074 165.6
[M+K]+ 274.07008 157.3
[M+H-H2O]+ 218.10418 142.7
[M+HCOO]- 280.10512 170.9
[M+CH3COO]- 294.12077 190.9
[M+Na-2H]- 256.08159 157.0
[M]+ 235.10637 153.5
[M]- 235.10747 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.