CID 475305

9-(2,3-epoxypropyl)adenine

Structural Information

Molecular Formula
C8H9N5O
SMILES
C1C(O1)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C8H9N5O/c9-7-6-8(11-3-10-7)13(4-12-6)1-5-2-14-5/h3-5H,1-2H2,(H2,9,10,11)
InChIKey
RTACKBIAQQFLDM-UHFFFAOYSA-N
Compound name
9-(oxiran-2-ylmethyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0807 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 150.1
[M+Na]+ 214.06992 163.5
[M-H]- 190.07342 154.1
[M+NH4]+ 209.11452 160.8
[M+K]+ 230.04386 158.8
[M+H-H2O]+ 174.07796 141.0
[M+HCOO]- 236.07890 171.6
[M+CH3COO]- 250.09455 162.5
[M+Na-2H]- 212.05537 157.5
[M]+ 191.08015 154.4
[M]- 191.08125 154.4
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.