CID 135433796

5-amino-3-[(1r,5r)-5-(hydroxymethyl)cyclohex-2-en-1-yl]triazolo[4,5-d]pyrimidin-7-ol

Structural Information

Molecular Formula
C11H14N6O2
SMILES
C1C=C[C@@H](C[C@@H]1CO)N2C3=C(C(=O)NC(=N3)N)N=N2
InChI
InChI=1S/C11H14N6O2/c12-11-13-9-8(10(19)14-11)15-16-17(9)7-3-1-2-6(4-7)5-18/h1,3,6-7,18H,2,4-5H2,(H3,12,13,14,19)/t6-,7+/m1/s1
InChIKey
WGGLSNDGCSDFLZ-RQJHMYQMSA-N
Compound name
5-amino-3-[(1R,5R)-5-(hydroxymethyl)cyclohex-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11783 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 159.7
[M+Na]+ 285.10705 170.1
[M-H]- 261.11055 158.9
[M+NH4]+ 280.15165 170.8
[M+K]+ 301.08099 163.8
[M+H-H2O]+ 245.11509 150.1
[M+HCOO]- 307.11603 175.4
[M+CH3COO]- 321.13168 169.6
[M+Na-2H]- 283.09250 164.2
[M]+ 262.11728 157.0
[M]- 262.11838 157.0
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.