CID 453372

145828-68-8

Structural Information

Molecular Formula
C10H14FN3O3
SMILES
CC1=CN(C(=O)NC1=O)N2C[C@@H]([C@H](C2)F)CO
InChI
InChI=1S/C10H14FN3O3/c1-6-2-14(10(17)12-9(6)16)13-3-7(5-15)8(11)4-13/h2,7-8,15H,3-5H2,1H3,(H,12,16,17)/t7-,8+/m1/s1
InChIKey
YSGKKVVPWXTYNO-SFYZADRCSA-N
Compound name
1-[(3R,4R)-3-fluoro-4-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10191 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10919 151.5
[M+Na]+ 266.09113 161.8
[M-H]- 242.09463 151.3
[M+NH4]+ 261.13573 165.9
[M+K]+ 282.06507 157.2
[M+H-H2O]+ 226.09917 143.0
[M+HCOO]- 288.10011 167.9
[M+CH3COO]- 302.11576 187.3
[M+Na-2H]- 264.07658 151.8
[M]+ 243.10136 148.7
[M]- 243.10246 148.7
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.