CID 76098

6-(morpholin-4-yl)-9h-purine

Structural Information

Molecular Formula
C9H11N5O
SMILES
C1COCCN1C2=NC=NC3=C2NC=N3
InChI
InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
InChIKey
MEOMXKNIFWDDGZ-UHFFFAOYSA-N
Compound name
4-(7H-purin-6-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

155
Patents

205.09636 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10364 143.7
[M+Na]+ 228.08558 152.5
[M-H]- 204.08908 143.7
[M+NH4]+ 223.13018 156.2
[M+K]+ 244.05952 149.1
[M+H-H2O]+ 188.09362 133.4
[M+HCOO]- 250.09456 158.4
[M+CH3COO]- 264.11021 154.6
[M+Na-2H]- 226.07103 151.2
[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