CID 5270

17318-31-9

Structural Information

Molecular Formula
C9H11N5O
SMILES
C1CC(OC1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)
InChIKey
UKHMZCMKHPHFOT-UHFFFAOYSA-N
Compound name
9-(oxolan-2-yl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

337
References

201
Patents

205.09636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10364 141.1
[M+Na]+ 228.08558 151.2
[M-H]- 204.08908 144.6
[M+NH4]+ 223.13018 157.5
[M+K]+ 244.05952 149.0
[M+H-H2O]+ 188.09362 132.2
[M+HCOO]- 250.09456 161.6
[M+CH3COO]- 264.11021 154.0
[M+Na-2H]- 226.07103 146.5
[M]+ 205.09581 140.8
[M]- 205.09691 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe