CID 513884

[(1r,3s)-3-(6-amino-8-methyl-purin-9-yl)cyclopentyl]methanol

Structural Information

Molecular Formula
C12H17N5O
SMILES
CC1=NC2=C(N=CN=C2N1[C@H]3CC[C@H](C3)CO)N
InChI
InChI=1S/C12H17N5O/c1-7-16-10-11(13)14-6-15-12(10)17(7)9-3-2-8(4-9)5-18/h6,8-9,18H,2-5H2,1H3,(H2,13,14,15)/t8-,9+/m1/s1
InChIKey
VTOPZFRTHOPRBB-BDAKNGLRSA-N
Compound name
[(1R,3S)-3-(6-amino-8-methylpurin-9-yl)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 156.3
[M+Na]+ 270.13253 166.3
[M-H]- 246.13603 158.3
[M+NH4]+ 265.17713 172.2
[M+K]+ 286.10647 161.6
[M+H-H2O]+ 230.14057 147.6
[M+HCOO]- 292.14151 175.2
[M+CH3COO]- 306.15716 167.8
[M+Na-2H]- 268.11798 157.9
[M]+ 247.14276 155.5
[M]- 247.14386 155.5
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.