CID 512158

Schembl9087731

Structural Information

Molecular Formula
C10H13FN2O4
SMILES
C1[C@H]([C@@]1(CN2C=C(C(=O)NC2=O)F)CO)CO
InChI
InChI=1S/C10H13FN2O4/c11-7-2-13(9(17)12-8(7)16)4-10(5-15)1-6(10)3-14/h2,6,14-15H,1,3-5H2,(H,12,16,17)/t6-,10-/m0/s1
InChIKey
PVTYLJZBDSNRDG-WKEGUHRASA-N
Compound name
1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

244.08594 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09322 153.2
[M+Na]+ 267.07516 165.4
[M-H]- 243.07866 154.0
[M+NH4]+ 262.11976 163.9
[M+K]+ 283.04910 159.6
[M+H-H2O]+ 227.08320 146.5
[M+HCOO]- 289.08414 170.5
[M+CH3COO]- 303.09979 187.8
[M+Na-2H]- 265.06061 157.3
[M]+ 244.08539 155.5
[M]- 244.08649 155.5
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

patents stripe