CID 135446939

5-amino-3-[[(1s,3r)-3-(hydroxymethyl)cyclopentyl]methyl]-6h-triazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C11H16N6O2
SMILES
C1C[C@H](C[C@H]1CN2C3=C(C(=O)NC(=N3)N)N=N2)CO
InChI
InChI=1S/C11H16N6O2/c12-11-13-9-8(10(19)14-11)15-16-17(9)4-6-1-2-7(3-6)5-18/h6-7,18H,1-5H2,(H3,12,13,14,19)/t6-,7+/m0/s1
InChIKey
CLDXMZKUMVSEPW-NKWVEPMBSA-N
Compound name
5-amino-3-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13348 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 159.1
[M+Na]+ 287.12270 169.1
[M-H]- 263.12620 158.8
[M+NH4]+ 282.16730 172.1
[M+K]+ 303.09664 163.7
[M+H-H2O]+ 247.13074 150.1
[M+HCOO]- 309.13168 175.8
[M+CH3COO]- 323.14733 169.4
[M+Na-2H]- 285.10815 160.7
[M]+ 264.13293 157.4
[M]- 264.13403 157.4
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.