CID 99920

Adenosine dialdehyde

Structural Information

Molecular Formula
C10H11N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)C(C=O)OC(CO)C=O)N
InChI
InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)
InChIKey
ILMNSCQOSGKTNZ-UHFFFAOYSA-N
Compound name
2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

85
References

268
Patents

265.08112 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08840 155.2
[M+Na]+ 288.07034 164.4
[M-H]- 264.07384 153.7
[M+NH4]+ 283.11494 167.8
[M+K]+ 304.04428 161.8
[M+H-H2O]+ 248.07838 146.4
[M+HCOO]- 310.07932 174.3
[M+CH3COO]- 324.09497 195.4
[M+Na-2H]- 286.05579 160.0
[M]+ 265.08057 158.7
[M]- 265.08167 158.7
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.