CID 91654558

5-(2-aminoethyl)pyridin-3-ol

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1=C(C=NC=C1O)CCN
InChI
InChI=1S/C7H10N2O/c8-2-1-6-3-7(10)5-9-4-6/h3-5,10H,1-2,8H2
InChIKey
KNBOSXBKAWGPLE-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.2
[M+Na]+ 161.06854 135.2
[M-H]- 137.07204 128.0
[M+NH4]+ 156.11314 146.6
[M+K]+ 177.04248 132.8
[M+H-H2O]+ 121.07658 121.1
[M+HCOO]- 183.07752 150.3
[M+CH3COO]- 197.09317 172.5
[M+Na-2H]- 159.05399 134.6
[M]+ 138.07877 125.1
[M]- 138.07987 125.1
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.