CID 469182

Cytosine der.

Structural Information

Molecular Formula
C10H15N3O3
SMILES
C1C(C1(CN2C=CC(=NC2=O)N)CO)CO
InChI
InChI=1S/C10H15N3O3/c11-8-1-2-13(9(16)12-8)5-10(6-15)3-7(10)4-14/h1-2,7,14-15H,3-6H2,(H2,11,12,16)
InChIKey
VLYJANVHTCQPMC-UHFFFAOYSA-N
Compound name
4-amino-1-[[1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

225.11134 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 152.7
[M+Na]+ 248.10056 163.6
[M-H]- 224.10406 155.4
[M+NH4]+ 243.14516 164.1
[M+K]+ 264.07450 158.7
[M+H-H2O]+ 208.10860 146.3
[M+HCOO]- 270.10954 172.7
[M+CH3COO]- 284.12519 189.2
[M+Na-2H]- 246.08601 157.9
[M]+ 225.11079 155.1
[M]- 225.11189 155.1
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.