CID 513888

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

Structural Information

Molecular Formula
C12H18N6O
SMILES
CNC1=NC2=C(N=CN=C2N1[C@H]3CC[C@H](C3)CO)N
InChI
InChI=1S/C12H18N6O/c1-14-12-17-9-10(13)15-6-16-11(9)18(12)8-3-2-7(4-8)5-19/h6-8,19H,2-5H2,1H3,(H,14,17)(H2,13,15,16)/t7-,8+/m1/s1
InChIKey
BLHLWNIJLKYUJI-SFYZADRCSA-N
Compound name
[(1R,3S)-3-[6-amino-8-(methylamino)purin-9-yl]cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1542 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.16148 158.2
[M+Na]+ 285.14342 167.2
[M-H]- 261.14692 160.3
[M+NH4]+ 280.18802 173.1
[M+K]+ 301.11736 162.6
[M+H-H2O]+ 245.15146 149.1
[M+HCOO]- 307.15240 178.2
[M+CH3COO]- 321.16805 169.1
[M+Na-2H]- 283.12887 160.8
[M]+ 262.15365 156.8
[M]- 262.15475 156.8
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.