CID 512649

1-((2-hydroxethoxy)methyl)-isocytosine

Structural Information

Molecular Formula
C7H11N3O3
SMILES
C1=CN(C(=NC1=O)N)COCCO
InChI
InChI=1S/C7H11N3O3/c8-7-9-6(12)1-2-10(7)5-13-4-3-11/h1-2,11H,3-5H2,(H2,8,9,12)
InChIKey
GELNYZOACSQCRO-UHFFFAOYSA-N
Compound name
2-amino-1-(2-hydroxyethoxymethyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

185.08005 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08733 136.8
[M+Na]+ 208.06927 145.8
[M-H]- 184.07277 136.5
[M+NH4]+ 203.11387 153.0
[M+K]+ 224.04321 143.6
[M+H-H2O]+ 168.07731 129.5
[M+HCOO]- 230.07825 159.1
[M+CH3COO]- 244.09390 180.1
[M+Na-2H]- 206.05472 143.5
[M]+ 185.07950 137.7
[M]- 185.08060 137.7
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

No patent data available for this compound.