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]+ 211.14411 150.5
[M+Na]+ 233.12605 155.4
[M-H]- 209.12955 150.9
[M+NH4]+ 228.17065 165.0
[M+K]+ 249.09999 151.7
[M+H-H2O]+ 193.13409 142.7
[M+HCOO]- 255.13503 163.5
[M+CH3COO]- 269.15068 181.9
[M+Na-2H]- 231.11150 151.9
[M]+ 210.13628 142.0
[M]- 210.13738 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.