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]+ 250.12985 162.8
[M+Na]+ 272.11179 174.3
[M-H]- 248.11529 163.9
[M+NH4]+ 267.15639 171.4
[M+K]+ 288.08573 167.1
[M+H-H2O]+ 232.11983 154.7
[M+HCOO]- 294.12077 180.9
[M+CH3COO]- 308.13642 172.9
[M+Na-2H]- 270.09724 166.3
[M]+ 249.12202 165.5
[M]- 249.12312 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.