CID 189926

Chpmpa

Structural Information

Molecular Formula
C9H12N5O4P
SMILES
C1[C@@H](OCP(=O)(O1)O)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H12N5O4P/c10-8-7-9(12-3-11-8)14(4-13-7)1-6-2-18-19(15,16)5-17-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,10,11,12)/t6-/m0/s1
InChIKey
LNUMZUZGQXHRIL-LURJTMIESA-N
Compound name
9-[[(5S)-2-hydroxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

98
Patents

285.06268 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06996 161.2
[M+Na]+ 308.05190 170.4
[M-H]- 284.05540 162.5
[M+NH4]+ 303.09650 172.5
[M+K]+ 324.02584 169.7
[M+H-H2O]+ 268.05994 149.5
[M+HCOO]- 330.06088 182.1
[M+CH3COO]- 344.07653 196.9
[M+Na-2H]- 306.03735 164.5
[M]+ 285.06213 161.8
[M]- 285.06323 161.8
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

No patent data available for this compound.