CID 3077887

136105-25-4

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1=NC2=C(N=NN=C2N1[C@H]3[C@@H]([C@H](O3)CO)CO)N
InChI
InChI=1S/C9H12N6O3/c10-7-6-8(13-14-12-7)15(3-11-6)9-4(1-16)5(2-17)18-9/h3-5,9,16-17H,1-2H2,(H2,10,12,13)/t4-,5-,9-/m1/s1
InChIKey
WHUAVSAQTZOPNC-UDJQAZALSA-N
Compound name
[(2R,3R,4S)-2-(4-aminoimidazo[4,5-d]triazin-7-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09709 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 156.2
[M+Na]+ 275.08631 165.2
[M-H]- 251.08981 155.8
[M+NH4]+ 270.13091 160.2
[M+K]+ 291.06025 165.3
[M+H-H2O]+ 235.09435 141.5
[M+HCOO]- 297.09529 171.0
[M+CH3COO]- 311.11094 194.9
[M+Na-2H]- 273.07176 160.5
[M]+ 252.09654 166.0
[M]- 252.09764 166.0
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.