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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe