CID 451559

2-aminooxetanocin a

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@H](O3)CO)CO)N)N
InChI
InChI=1S/C10H14N6O3/c11-7-6-8(15-10(12)14-7)16(3-13-6)9-4(1-17)5(2-18)19-9/h3-5,9,17-18H,1-2H2,(H4,11,12,14,15)/t4-,5-,9-/m1/s1
InChIKey
LHGZHHAMKUXUME-UDJQAZALSA-N
Compound name
[(2R,3R,4S)-2-(2,6-diaminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

266.11273 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 162.6
[M+Na]+ 289.10195 170.8
[M-H]- 265.10545 163.4
[M+NH4]+ 284.14655 167.0
[M+K]+ 305.07589 170.9
[M+H-H2O]+ 249.10999 147.9
[M+HCOO]- 311.11093 178.7
[M+CH3COO]- 325.12658 200.9
[M+Na-2H]- 287.08740 165.2
[M]+ 266.11218 171.1
[M]- 266.11328 171.1
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

patents stripe