CID 501410

[2-[(6-aminopurin-9-yl)methyl]aziridin-1-yl]methylphosphonic acid

Structural Information

Molecular Formula
C9H13N6O3P
SMILES
C1C(N1CP(=O)(O)O)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H13N6O3P/c10-8-7-9(12-3-11-8)14(4-13-7)1-6-2-15(6)5-19(16,17)18/h3-4,6H,1-2,5H2,(H2,10,11,12)(H2,16,17,18)
InChIKey
MIUWLXQQSLYKSV-UHFFFAOYSA-N
Compound name
[2-[(6-aminopurin-9-yl)methyl]aziridin-1-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07867 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08595 176.8
[M+Na]+ 307.06789 188.1
[M-H]- 283.07139 175.6
[M+NH4]+ 302.11249 182.8
[M+K]+ 323.04183 181.3
[M+H-H2O]+ 267.07593 166.4
[M+HCOO]- 329.07687 197.9
[M+CH3COO]- 343.09252 199.9
[M+Na-2H]- 305.05334 178.5
[M]+ 284.07812 180.0
[M]- 284.07922 180.0
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

No patent data available for this compound.