CID 454602

Ddt-mep

Structural Information

Molecular Formula
C11H17N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(C)O
InChI
InChI=1S/C11H17N2O6P/c1-7-5-13(11(15)12-10(7)14)9-4-3-8(19-9)6-18-20(2,16)17/h5,8-9H,3-4,6H2,1-2H3,(H,16,17)(H,12,14,15)/t8-,9+/m0/s1
InChIKey
VAVROBHVXRDAJQ-DTWKUNHWSA-N
Compound name
methyl-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

304.08243 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08971 165.0
[M+Na]+ 327.07165 172.8
[M-H]- 303.07515 166.5
[M+NH4]+ 322.11625 176.9
[M+K]+ 343.04559 171.7
[M+H-H2O]+ 287.07969 155.7
[M+HCOO]- 349.08063 186.6
[M+CH3COO]- 363.09628 197.0
[M+Na-2H]- 325.05710 164.9
[M]+ 304.08188 167.1
[M]- 304.08298 167.1
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.