CID 513885

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

Structural Information

Molecular Formula
C11H14ClN5O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C3=NC=NC(=C3N=C2Cl)N
InChI
InChI=1S/C11H14ClN5O/c12-11-16-8-9(13)14-5-15-10(8)17(11)7-2-1-6(3-7)4-18/h5-7,18H,1-4H2,(H2,13,14,15)/t6-,7+/m1/s1
InChIKey
DNOWGNAXATWLIV-RQJHMYQMSA-N
Compound name
[(1R,3S)-3-(6-amino-8-chloropurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09596 159.0
[M+Na]+ 290.07790 169.9
[M-H]- 266.08140 160.7
[M+NH4]+ 285.12250 174.8
[M+K]+ 306.05184 164.1
[M+H-H2O]+ 250.08594 150.3
[M+HCOO]- 312.08688 173.3
[M+CH3COO]- 326.10253 170.2
[M+Na-2H]- 288.06335 160.4
[M]+ 267.08813 159.5
[M]- 267.08923 159.5
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.