CID 455482

1-(2-hydroxyethoxymethyl)-4-methylsulfanyl-6,7-dihydro-5h-cyclopenta[d]pyrimidin-2-one

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃S

SMILES

CSC1=NC(=O)N(C2=C1CCC2)COCCO

InChI

InChI=1S/C11H16N2O3S/c1-17-10-8-3-2-4-9(8)13(11(15)12-10)7-16-6-5-14/h14H,2-7H2,1H3

InChIKey

AVRNPTCKJPDSRA-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethoxymethyl)-4-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.08817 Da
Monoisotopic Mass: 0.3
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]+	257.095446	155.1
[M+Na]+	279.077388	164.7
[M-H]-	255.080894	156.1
[M+NH4]+	274.121993	172.8
[M+K]+	295.051328	161.1
[M+H-H2O]+	239.085430	148.8
[M+HCOO]-	301.086371	169.9
[M+CH3COO]-	315.102021	190.4
[M+Na-2H]-	277.062836	156.5
[M]+	256.08762142	160.3
[M]-	256.08871858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.