CID 166830

Cytosine glycol

Structural Information

Molecular Formula
C4H7N3O3
SMILES
C1(C(NC(=O)N=C1N)O)O
InChI
InChI=1S/C4H7N3O3/c5-2-1(8)3(9)7-4(10)6-2/h1,3,8-9H,(H3,5,6,7,10)
InChIKey
KJFJEAILAVCIQJ-UHFFFAOYSA-N
Compound name
4-amino-5,6-dihydroxy-5,6-dihydro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

85
Patents

145.04874 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.056016 128.6
[M+Na]+ 168.037958 136.9
[M-H]- 144.041464 125.6
[M+NH4]+ 163.082563 145.0
[M+K]+ 184.011898 134.2
[M+H-H2O]+ 128.046000 122.6
[M+HCOO]- 190.046941 145.9
[M+CH3COO]- 204.062591 168.3
[M+Na-2H]- 166.023406 132.9
[M]+ 145.04819142 122.2
[M]- 145.04928858 122.2
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