CID 135434780

3-[(1s,2r)-2-(hydroxymethyl)cyclopentyl]-6h-triazolo[4,5-d]pyrimidin-7-one

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1C[C@H]([C@H](C1)N2C3=C(C(=O)NC=N3)N=N2)CO
InChI
InChI=1S/C10H13N5O2/c16-4-6-2-1-3-7(6)15-9-8(13-14-15)10(17)12-5-11-9/h5-7,16H,1-4H2,(H,11,12,17)/t6-,7-/m0/s1
InChIKey
ADESXMWGDXDUEZ-BQBZGAKWSA-N
Compound name
3-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.10692 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 151.3
[M+Na]+ 258.09614 161.8
[M-H]- 234.09964 151.0
[M+NH4]+ 253.14074 165.7
[M+K]+ 274.07008 157.0
[M+H-H2O]+ 218.10418 142.3
[M+HCOO]- 280.10512 167.8
[M+CH3COO]- 294.12077 162.4
[M+Na-2H]- 256.08159 154.1
[M]+ 235.10637 150.3
[M]- 235.10747 150.3
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.