CID 475307

9-(2,3-epoxypropyl)-6-chloropurine

Structural Information

Molecular Formula
C8H7ClN4O
SMILES
C1C(O1)CN2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C8H7ClN4O/c9-7-6-8(11-3-10-7)13(4-12-6)1-5-2-14-5/h3-5H,1-2H2
InChIKey
WKPFQWWVBKPDJS-UHFFFAOYSA-N
Compound name
6-chloro-9-(oxiran-2-ylmethyl)purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03084 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03812 151.8
[M+Na]+ 233.02006 166.1
[M-H]- 209.02356 155.5
[M+NH4]+ 228.06466 162.9
[M+K]+ 248.99400 161.0
[M+H-H2O]+ 193.02810 142.5
[M+HCOO]- 255.02904 167.9
[M+CH3COO]- 269.04469 164.3
[M+Na-2H]- 231.00551 158.8
[M]+ 210.03029 158.9
[M]- 210.03139 158.9
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.