CID 25105572

4'-methylcyclopentanyl-9-deazaadenosine

Structural Information

Molecular Formula
C13H18N4O
SMILES
C[C@]1(CC[C@@H](C1)C2=CNC3=C2N=CN=C3N)CO
InChI
InChI=1S/C13H18N4O/c1-13(6-18)3-2-8(4-13)9-5-15-11-10(9)16-7-17-12(11)14/h5,7-8,15,18H,2-4,6H2,1H3,(H2,14,16,17)/t8-,13+/m0/s1
InChIKey
IJLXCYDLHQZJJM-ISVAXAHUSA-N
Compound name
[(1R,3S)-3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-1-methylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.14806 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 155.0
[M+Na]+ 269.13728 164.3
[M-H]- 245.14078 156.8
[M+NH4]+ 264.18188 173.4
[M+K]+ 285.11122 158.9
[M+H-H2O]+ 229.14532 147.4
[M+HCOO]- 291.14626 173.5
[M+CH3COO]- 305.16191 166.3
[M+Na-2H]- 267.12273 157.9
[M]+ 246.14751 152.1
[M]- 246.14861 152.1
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

No patent data available for this compound.