CID 135400916

Inosine dialdehyde

Structural Information

Molecular Formula
C10H10N4O5
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@@H](C=O)O[C@H](CO)C=O
InChI
InChI=1S/C10H10N4O5/c15-1-6(2-16)19-7(3-17)14-5-13-8-9(14)11-4-12-10(8)18/h1,3-7,16H,2H2,(H,11,12,18)/t6-,7+/m0/s1
InChIKey
RGWOFTGZWJGPHG-NKWVEPMBSA-N
Compound name
(2R)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-1H-purin-9-yl)ethoxy]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

1589
Patents

266.06512 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07240 153.9
[M+Na]+ 289.05434 163.7
[M-H]- 265.05784 151.5
[M+NH4]+ 284.09894 166.2
[M+K]+ 305.02828 160.5
[M+H-H2O]+ 249.06238 145.7
[M+HCOO]- 311.06332 171.4
[M+CH3COO]- 325.07897 190.0
[M+Na-2H]- 287.03979 158.6
[M]+ 266.06457 158.0
[M]- 266.06567 158.0
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