CID 482847

2,6-diamino-9[(e)-(2-hydroxymethyl-3-methylenecyclo-propyl)methyl]purine

Structural Information

Molecular Formula
C11H14N6O
SMILES
C=C1[C@@H]([C@H]1CO)CN2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C11H14N6O/c1-5-6(7(5)3-18)2-17-4-14-8-9(12)15-11(13)16-10(8)17/h4,6-7,18H,1-3H2,(H4,12,13,15,16)/t6-,7-/m0/s1
InChIKey
MZTLFEXSXXAKCG-BQBZGAKWSA-N
Compound name
[(1R,2R)-2-[(2,6-diaminopurin-9-yl)methyl]-3-methylidenecyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.12291 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13019 164.6
[M+Na]+ 269.11213 178.2
[M-H]- 245.11563 167.2
[M+NH4]+ 264.15673 174.1
[M+K]+ 285.08607 169.5
[M+H-H2O]+ 229.12017 156.7
[M+HCOO]- 291.12111 185.3
[M+CH3COO]- 305.13676 175.5
[M+Na-2H]- 267.09758 167.6
[M]+ 246.12236 166.9
[M]- 246.12346 166.9
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.