CID 378779

Nsc661954

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1CC2(CC2C1N3C=CC(=O)NC3=O)CO
InChI
InChI=1S/C11H14N2O3/c14-6-11-3-1-8(7(11)5-11)13-4-2-9(15)12-10(13)16/h2,4,7-8,14H,1,3,5-6H2,(H,12,15,16)
InChIKey
RKNRAPFBDBJDHZ-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 152.1
[M+Na]+ 245.08967 164.0
[M-H]- 221.09317 155.9
[M+NH4]+ 240.13427 166.7
[M+K]+ 261.06361 158.3
[M+H-H2O]+ 205.09771 146.3
[M+HCOO]- 267.09865 170.3
[M+CH3COO]- 281.11430 164.0
[M+Na-2H]- 243.07512 156.7
[M]+ 222.09990 153.9
[M]- 222.10100 153.9
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.