CID 4060212

1-cyclohexyl-1,2-dihydrothymine

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC1=CN(C(NC1=O)O)C2CCCCC2
InChI
InChI=1S/C11H18N2O2/c1-8-7-13(11(15)12-10(8)14)9-5-3-2-4-6-9/h7,9,11,15H,2-6H2,1H3,(H,12,14)
InChIKey
LYXJXDODBMNSHC-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 150.5
[M+Na]+ 233.126048 155.4
[M-H]- 209.129554 150.9
[M+NH4]+ 228.170653 165.0
[M+K]+ 249.099988 151.7
[M+H-H2O]+ 193.134090 142.7
[M+HCOO]- 255.135031 163.5
[M+CH3COO]- 269.150681 181.9
[M+Na-2H]- 231.111496 151.9
[M]+ 210.13628142 142.0
[M]- 210.13737858 142.0
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.