CID 475351

1-[(1'.beta.,4'.beta.)-4'-(phosphonomethyoxy)cyclopentyl]thymine

Structural Information

Molecular Formula
C11H17N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](C2)OCP(=O)(O)O
InChI
InChI=1S/C11H17N2O6P/c1-7-5-13(11(15)12-10(7)14)8-2-3-9(4-8)19-6-20(16,17)18/h5,8-9H,2-4,6H2,1H3,(H,12,14,15)(H2,16,17,18)/t8-,9+/m0/s1
InChIKey
LYISPIMFFCMCLJ-DTWKUNHWSA-N
Compound name
[(1R,3S)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08243 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08971 164.5
[M+Na]+ 327.07165 171.6
[M-H]- 303.07515 164.0
[M+NH4]+ 322.11625 176.9
[M+K]+ 343.04559 168.9
[M+H-H2O]+ 287.07969 155.3
[M+HCOO]- 349.08063 185.4
[M+CH3COO]- 363.09628 194.5
[M+Na-2H]- 325.05710 163.4
[M]+ 304.08188 164.2
[M]- 304.08298 164.2
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.