CID 469078

Aminoazapurine

Structural Information

Molecular Formula
C11H14N6O
SMILES
C1C=C[C@@H](C[C@@H]1CO)N2C3=NC=NC(=C3N=N2)N
InChI
InChI=1S/C11H14N6O/c12-10-9-11(14-6-13-10)17(16-15-9)8-3-1-2-7(4-8)5-18/h1,3,6-8,18H,2,4-5H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKey
WHPCTBTULHGNSC-SFYZADRCSA-N
Compound name
[(1R,5R)-5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.12291 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13019 155.8
[M+Na]+ 269.11213 165.6
[M-H]- 245.11563 155.8
[M+NH4]+ 264.15673 168.0
[M+K]+ 285.08607 160.1
[M+H-H2O]+ 229.12017 145.6
[M+HCOO]- 291.12111 172.7
[M+CH3COO]- 305.13676 166.2
[M+Na-2H]- 267.09758 161.4
[M]+ 246.12236 153.7
[M]- 246.12346 153.7
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.