CID 478847

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

Structural Information

Molecular Formula
C12H17N5O
SMILES
C1C[C@@H]([C@@H](C1)CO)CN2C=NC3=CN=C(N=C32)N
InChI
InChI=1S/C12H17N5O/c13-12-14-4-10-11(16-12)17(7-15-10)5-8-2-1-3-9(8)6-18/h4,7-9,18H,1-3,5-6H2,(H2,13,14,16)/t8-,9+/m1/s1
InChIKey
MUWFSGIUBZHJHO-BDAKNGLRSA-N
Compound name
[(1R,2S)-2-[(2-aminopurin-9-yl)methyl]cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14331 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.15059 155.1
[M+Na]+ 270.13253 164.1
[M-H]- 246.13603 156.7
[M+NH4]+ 265.17713 170.7
[M+K]+ 286.10647 159.6
[M+H-H2O]+ 230.14057 146.0
[M+HCOO]- 292.14151 174.0
[M+CH3COO]- 306.15716 166.3
[M+Na-2H]- 268.11798 157.5
[M]+ 247.14276 153.9
[M]- 247.14386 153.9
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.