CID 21871817

117907-42-3

Structural Information

Molecular Formula
C9H15N3O4
SMILES
C1=C(C(=NC(=C1N)OCCO)OCCO)N
InChI
InChI=1S/C9H15N3O4/c10-6-5-7(11)9(16-4-2-14)12-8(6)15-3-1-13/h5,13-14H,1-4,10-11H2
InChIKey
FJLWSRYKQCJGGK-UHFFFAOYSA-N
Compound name
2-[3,5-diamino-6-(2-hydroxyethoxy)pyridin-2-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

765
Patents

229.10626 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11354 149.2
[M+Na]+ 252.09548 157.8
[M+NH4]+ 247.14008 154.1
[M+K]+ 268.06942 154.7
[M-H]- 228.09898 148.8
[M+Na-2H]- 250.08093 152.0
[M]+ 229.10571 149.7
[M]- 229.10681 149.7
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