CID 513618

Peec

Structural Information

Molecular Formula
C8H14N3O5P
SMILES
C1=CN(C(=O)N=C1N)CCOCCP(=O)(O)O
InChI
InChI=1S/C8H14N3O5P/c9-7-1-2-11(8(12)10-7)3-4-16-5-6-17(13,14)15/h1-2H,3-6H2,(H2,9,10,12)(H2,13,14,15)
InChIKey
PPGJXZZOYNNJNK-UHFFFAOYSA-N
Compound name
2-[2-(4-amino-2-oxopyrimidin-1-yl)ethoxy]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

263.0671 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07438 156.9
[M+Na]+ 286.05632 164.2
[M-H]- 262.05982 153.9
[M+NH4]+ 281.10092 169.4
[M+K]+ 302.03026 162.2
[M+H-H2O]+ 246.06436 147.2
[M+HCOO]- 308.06530 181.2
[M+CH3COO]- 322.08095 191.9
[M+Na-2H]- 284.04177 159.7
[M]+ 263.06655 158.8
[M]- 263.06765 158.8
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

patents stripe