CID 76098

2846-96-0

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
1
Annotation Hits

11
References

153
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 143.6
[M+Na]+ 228.08558 157.3
[M+NH4]+ 223.13018 150.7
[M+K]+ 244.05952 153.6
[M-H]- 204.08908 145.8
[M+Na-2H]- 226.07103 150.1
[M]+ 205.09581 146.0
[M]- 205.09691 146.0
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.