CID 25147293

(+/-)-1-[4,4-bis-(hydroxymethyl)-5-methylene-cyclopent-2-enyl]uracil

Structural Information

Molecular Formula
C12H14N2O4
SMILES
C=C1C(C=CC1(CO)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C12H14N2O4/c1-8-9(2-4-12(8,6-15)7-16)14-5-3-10(17)13-11(14)18/h2-5,9,15-16H,1,6-7H2,(H,13,17,18)
InChIKey
BVNMQMJBVDRYTF-UHFFFAOYSA-N
Compound name
1-[4,4-bis(hydroxymethyl)-5-methylidenecyclopent-2-en-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.09535 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 152.4
[M+Na]+ 273.08457 162.6
[M-H]- 249.08807 153.7
[M+NH4]+ 268.12917 169.0
[M+K]+ 289.05851 157.4
[M+H-H2O]+ 233.09261 146.2
[M+HCOO]- 295.09355 171.0
[M+CH3COO]- 309.10920 184.7
[M+Na-2H]- 271.07002 155.2
[M]+ 250.09480 151.3
[M]- 250.09590 151.3
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.