CID 9579459

5-(6-amino-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-carbaldehyde oxime

Structural Information

Molecular Formula
C10H12N6O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)/C=N/O)O
InChI
InChI=1S/C10H12N6O3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(19-7)2-15-18/h2-7,17-18H,1H2,(H2,11,12,13)/b15-2+/t5-,6+,7+/m0/s1
InChIKey
MJNPXASWULCQTA-XHRGGKCHSA-N
Compound name
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[(E)-hydroxyiminomethyl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.09708 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10436 155.3
[M+Na]+ 287.08630 165.2
[M-H]- 263.08980 158.3
[M+NH4]+ 282.13090 168.6
[M+K]+ 303.06024 162.5
[M+H-H2O]+ 247.09434 146.6
[M+HCOO]- 309.09528 175.4
[M+CH3COO]- 323.11093 166.9
[M+Na-2H]- 285.07175 159.3
[M]+ 264.09653 155.7
[M]- 264.09763 155.7
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

No patent data available for this compound.