CID 15954377

1-(ethoxymethyl)cytosine

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CCOCN1C=CC(=NC1=O)N

InChI

InChI=1S/C7H11N3O2/c1-2-12-5-10-4-3-6(8)9-7(10)11/h3-4H,2,5H2,1H3,(H2,8,9,11)

InChIKey

SYNCRZYDIVNFIF-UHFFFAOYSA-N

Compound name

4-amino-1-(ethoxymethyl)pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 169.08513 Da
Monoisotopic Mass: -0.8
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]+	170.09241	133.5
[M+Na]+	192.07435	143.1
[M-H]-	168.07785	134.6
[M+NH4]+	187.11895	151.2
[M+K]+	208.04829	141.3
[M+H-H2O]+	152.08239	126.2
[M+HCOO]-	214.08333	157.2
[M+CH3COO]-	228.09898	180.4
[M+Na-2H]-	190.05980	140.7
[M]+	169.08458	134.9
[M]-	169.08568	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe