CID 451667

2-aminocyclobut-a

Structural Information

Molecular Formula
C11H16N6O2
SMILES
C1[C@@H]([C@H]([C@@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)CO
InChI
InChI=1S/C11H16N6O2/c12-9-8-10(16-11(13)15-9)17(4-14-8)7-1-5(2-18)6(7)3-19/h4-7,18-19H,1-3H2,(H4,12,13,15,16)/t5-,6-,7-/m1/s1
InChIKey
BTJNZRDKZZGBFM-FSDSQADBSA-N
Compound name
[(1S,2R,3R)-3-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

264.13348 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 164.5
[M+Na]+ 287.12270 172.5
[M-H]- 263.12620 164.5
[M+NH4]+ 282.16730 170.3
[M+K]+ 303.09664 170.9
[M+H-H2O]+ 247.13074 149.8
[M+HCOO]- 309.13168 181.0
[M+CH3COO]- 323.14733 201.3
[M+Na-2H]- 285.10815 166.2
[M]+ 264.13293 171.4
[M]- 264.13403 171.4
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