CID 28477444

884343-12-8

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

CN(CCO)C1=CN=C(C=C1)N

InChI

InChI=1S/C8H13N3O/c1-11(4-5-12)7-2-3-8(9)10-6-7/h2-3,6,12H,4-5H2,1H3,(H2,9,10)

InChIKey

XHAHWJKEJRHFHD-UHFFFAOYSA-N

Compound name

2-[(6-aminopyridin-3-yl)-methylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 167.10587 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.11315	135.6
[M+Na]+	190.09509	142.4
[M-H]-	166.09859	137.6
[M+NH4]+	185.13969	154.1
[M+K]+	206.06903	141.1
[M+H-H2O]+	150.10313	128.5
[M+HCOO]-	212.10407	159.9
[M+CH3COO]-	226.11972	184.1
[M+Na-2H]-	188.08054	142.0
[M]+	167.10532	134.3
[M]-	167.10642	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe