CID 4375134

1-[[3-(hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC1(C(CCC1(C)CO)CN2C=CC(=O)NC2=O)C
InChI
InChI=1S/C14H22N2O3/c1-13(2)10(4-6-14(13,3)9-17)8-16-7-5-11(18)15-12(16)19/h5,7,10,17H,4,6,8-9H2,1-3H3,(H,15,18,19)
InChIKey
OUGUUXYZVGAXGE-UHFFFAOYSA-N
Compound name
1-[[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.16306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 157.8
[M+Na]+ 289.152278 167.5
[M-H]- 265.155784 160.1
[M+NH4]+ 284.196883 176.7
[M+K]+ 305.126218 163.2
[M+H-H2O]+ 249.160320 152.0
[M+HCOO]- 311.161261 175.5
[M+CH3COO]- 325.176911 191.6
[M+Na-2H]- 287.137726 160.5
[M]+ 266.16251142 157.5
[M]- 266.16360858 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.