CID 10681620

(+)-1-[(1s,4s)-4-fluoro-4-hyrdoxymethylcyclopentan-1-yl]thymine

Structural Information

Molecular Formula
C11H15FN2O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@](C2)(CO)F
InChI
InChI=1S/C11H15FN2O3/c1-7-5-14(10(17)13-9(7)16)8-2-3-11(12,4-8)6-15/h5,8,15H,2-4,6H2,1H3,(H,13,16,17)/t8-,11-/m0/s1
InChIKey
HZTTXMBABKVTPD-KWQFWETISA-N
Compound name
1-[(1S,3S)-3-fluoro-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10667 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11395 149.5
[M+Na]+ 265.09589 159.5
[M-H]- 241.09939 150.5
[M+NH4]+ 260.14049 167.2
[M+K]+ 281.06983 155.1
[M+H-H2O]+ 225.10393 142.3
[M+HCOO]- 287.10487 167.1
[M+CH3COO]- 301.12052 185.6
[M+Na-2H]- 263.08134 151.6
[M]+ 242.10612 146.6
[M]- 242.10722 146.6
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.