CID 512645

78692-74-7

Structural Information

Molecular Formula
C7H9IN2O4
SMILES
C1=C(C(=O)NC(=O)N1COCCO)I
InChI
InChI=1S/C7H9IN2O4/c8-5-3-10(4-14-2-1-11)7(13)9-6(5)12/h3,11H,1-2,4H2,(H,9,12,13)
InChIKey
ZBGIVRIQQILFHY-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

311.9607 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.96798 149.4
[M+Na]+ 334.94992 152.3
[M-H]- 310.95342 141.7
[M+NH4]+ 329.99452 160.1
[M+K]+ 350.92386 155.2
[M+H-H2O]+ 294.95796 139.0
[M+HCOO]- 356.95890 164.8
[M+CH3COO]- 370.97455 187.4
[M+Na-2H]- 332.93537 142.8
[M]+ 311.96015 148.7
[M]- 311.96125 148.7
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