CID 11805896

634924-89-3

Structural Information

Molecular Formula
C9H13N5O
SMILES
CCN1C2=NC=NC(=C2N=C1OCC)N
InChI
InChI=1S/C9H13N5O/c1-3-14-8-6(7(10)11-5-12-8)13-9(14)15-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKey
QUGDTMONBLMLLD-UHFFFAOYSA-N
Compound name
8-ethoxy-9-ethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

37
Patents

207.11201 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11929 145.2
[M+Na]+ 230.10123 157.0
[M-H]- 206.10473 145.2
[M+NH4]+ 225.14583 161.9
[M+K]+ 246.07517 153.6
[M+H-H2O]+ 190.10927 136.7
[M+HCOO]- 252.11021 167.2
[M+CH3COO]- 266.12586 189.3
[M+Na-2H]- 228.08668 152.1
[M]+ 207.11146 149.1
[M]- 207.11256 149.1
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