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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 155.1
[M+Na]+ 279.07739 164.7
[M-H]- 255.08089 156.1
[M+NH4]+ 274.12199 172.8
[M+K]+ 295.05133 161.1
[M+H-H2O]+ 239.08543 148.8
[M+HCOO]- 301.08637 169.9
[M+CH3COO]- 315.10202 190.4
[M+Na-2H]- 277.06284 156.5
[M]+ 256.08762 160.3
[M]- 256.08872 160.3
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.