CID 469865

2-aminooxetanocin a der.

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1[C@H]([C@@H]([C@H]1O)CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C10H14N6O2/c11-8-7-9(15-10(12)14-8)16(3-13-7)5-1-6(18)4(5)2-17/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t4-,5+,6-/m0/s1
InChIKey
ITWVNEGKASNHFP-JKUQZMGJSA-N
Compound name
(1S,2R,3R)-3-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.11783 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 160.1
[M+Na]+ 273.10705 168.6
[M-H]- 249.11055 160.3
[M+NH4]+ 268.15165 166.6
[M+K]+ 289.08099 167.2
[M+H-H2O]+ 233.11509 145.7
[M+HCOO]- 295.11603 177.0
[M+CH3COO]- 309.13168 198.4
[M+Na-2H]- 271.09250 162.4
[M]+ 250.11728 166.7
[M]- 250.11838 166.7
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.