CID 478846

[(1r,2s)-2-(2-aminopurin-9-yl)cyclopentyl]methanol

Structural Information

Molecular Formula
C11H15N5O
SMILES
C1C[C@H]([C@H](C1)N2C=NC3=CN=C(N=C32)N)CO
InChI
InChI=1S/C11H15N5O/c12-11-13-4-8-10(15-11)16(6-14-8)9-3-1-2-7(9)5-17/h4,6-7,9,17H,1-3,5H2,(H2,12,13,15)/t7-,9-/m0/s1
InChIKey
ODGVOENMMHLFSZ-CBAPKCEASA-N
Compound name
[(1R,2S)-2-(2-aminopurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12766 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13494 150.8
[M+Na]+ 256.11688 160.3
[M-H]- 232.12038 152.5
[M+NH4]+ 251.16148 166.9
[M+K]+ 272.09082 155.9
[M+H-H2O]+ 216.12492 141.9
[M+HCOO]- 278.12586 170.0
[M+CH3COO]- 292.14151 162.3
[M+Na-2H]- 254.10233 153.7
[M]+ 233.12711 149.2
[M]- 233.12821 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.