CID 379792

Nsc664884

Structural Information

Molecular Formula
C10H15N6O3P
SMILES
C1CC(CC1CP(=O)(O)O)N2C3=NC=NC(=C3N=N2)N
InChI
InChI=1S/C10H15N6O3P/c11-9-8-10(13-5-12-9)16(15-14-8)7-2-1-6(3-7)4-20(17,18)19/h5-7H,1-4H2,(H2,11,12,13)(H2,17,18,19)
InChIKey
FJMRAZBMGVHZCK-UHFFFAOYSA-N
Compound name
[3-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopentyl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09433 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10161 165.7
[M+Na]+ 321.08355 173.4
[M-H]- 297.08705 164.0
[M+NH4]+ 316.12815 177.0
[M+K]+ 337.05749 170.3
[M+H-H2O]+ 281.09159 154.6
[M+HCOO]- 343.09253 185.7
[M+CH3COO]- 357.10818 198.5
[M+Na-2H]- 319.06900 165.7
[M]+ 298.09378 164.0
[M]- 298.09488 164.0
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.