CID 501521

Ado dialdehyde

Structural Information

Molecular Formula
C11H12N4O4
SMILES
C1=CN=C(C2=C1N(C=N2)C(C=O)OC(CO)C=O)N
InChI
InChI=1S/C11H12N4O4/c12-11-10-8(1-2-13-11)15(6-14-10)9(5-18)19-7(3-16)4-17/h1-3,5-7,9,17H,4H2,(H2,12,13)
InChIKey
AMKRDVRPXOHHHS-UHFFFAOYSA-N
Compound name
2-[1-(4-aminoimidazo[4,5-c]pyridin-1-yl)-2-oxoethoxy]-3-hydroxypropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.08585 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09313 155.5
[M+Na]+ 287.07507 164.3
[M-H]- 263.07857 155.1
[M+NH4]+ 282.11967 169.5
[M+K]+ 303.04901 161.7
[M+H-H2O]+ 247.08311 147.3
[M+HCOO]- 309.08405 175.6
[M+CH3COO]- 323.09970 195.4
[M+Na-2H]- 285.06052 159.8
[M]+ 264.08530 158.9
[M]- 264.08640 158.9
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.