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

literature stripe

Patent stripe

patents stripe