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)-2-pyridinyl]oxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

775
Patents

229.10626 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.113536 148.4
[M+Na]+ 252.095478 155.6
[M-H]- 228.098984 147.6
[M+NH4]+ 247.140083 163.0
[M+K]+ 268.069418 153.3
[M+H-H2O]+ 212.103520 141.2
[M+HCOO]- 274.104461 170.2
[M+CH3COO]- 288.120111 190.1
[M+Na-2H]- 250.080926 152.1
[M]+ 229.10571142 148.4
[M]- 229.10680858 148.4
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