CID 452120

N6-methylcyclobut-a

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@@H]3C[C@@H]([C@H]3CO)CO
InChI
InChI=1S/C12H17N5O2/c1-13-11-10-12(15-5-14-11)17(6-16-10)9-2-7(3-18)8(9)4-19/h5-9,18-19H,2-4H2,1H3,(H,13,14,15)/t7-,8-,9-/m1/s1
InChIKey
RDPWLKRBMACBCQ-IWSPIJDZSA-N
Compound name
[(1S,2R,3R)-2-(hydroxymethyl)-3-[6-(methylamino)purin-9-yl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.1382 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 161.3
[M+Na]+ 286.12742 169.2
[M-H]- 262.13092 161.7
[M+NH4]+ 281.17202 167.8
[M+K]+ 302.10136 167.7
[M+H-H2O]+ 246.13546 146.9
[M+HCOO]- 308.13640 177.9
[M+CH3COO]- 322.15205 198.7
[M+Na-2H]- 284.11287 164.9
[M]+ 263.13765 170.7
[M]- 263.13875 170.7
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.