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

literature stripe

Patent stripe

patents stripe