CID 479232

(1s)-1-[(1r,2s)-2-[(6-aminopurin-9-yl)methyl]cyclopropyl]ethane-1,2-diol

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1[C@@H]([C@@H]1[C@@H](CO)O)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)2-6-1-7(6)8(18)3-17/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8-/m1/s1
InChIKey
DLWPDZLRGYNYIO-BWZBUEFSSA-N
Compound name
(1S)-1-[(1R,2S)-2-[(6-aminopurin-9-yl)methyl]cyclopropyl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12257 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.129846 162.8
[M+Na]+ 272.111788 174.3
[M-H]- 248.115294 163.9
[M+NH4]+ 267.156393 171.4
[M+K]+ 288.085728 167.1
[M+H-H2O]+ 232.119830 154.7
[M+HCOO]- 294.120771 180.9
[M+CH3COO]- 308.136421 172.9
[M+Na-2H]- 270.097236 166.3
[M]+ 249.12202142 165.5
[M]- 249.12311858 165.5
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.