CID 513886

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

Structural Information

Molecular Formula
C11H14BrN5O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C3=NC=NC(=C3N=C2Br)N
InChI
InChI=1S/C11H14BrN5O/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
CMIBFTNFQRPVKV-RQJHMYQMSA-N
Compound name
[(1R,3S)-3-(6-amino-8-bromopurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.03818 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04546 161.1
[M+Na]+ 334.02740 174.1
[M-H]- 310.03090 165.8
[M+NH4]+ 329.07200 178.2
[M+K]+ 350.00134 161.9
[M+H-H2O]+ 294.03544 159.0
[M+HCOO]- 356.03638 178.3
[M+CH3COO]- 370.05203 174.1
[M+Na-2H]- 332.01285 164.4
[M]+ 311.03763 178.4
[M]- 311.03873 178.4
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.