CID 3710594

2-amino-1-(pyridin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1=CC(=CN=C1)C(CN)O
InChI
InChI=1S/C7H10N2O/c8-4-7(10)6-2-1-3-9-5-6/h1-3,5,7,10H,4,8H2
InChIKey
BTKNUYMZBBWHIM-UHFFFAOYSA-N
Compound name
2-amino-1-pyridin-3-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

217
Patents

138.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.8
[M+Na]+ 161.06854 134.5
[M-H]- 137.07204 128.3
[M+NH4]+ 156.11314 146.8
[M+K]+ 177.04248 132.6
[M+H-H2O]+ 121.07658 121.5
[M+HCOO]- 183.07752 149.9
[M+CH3COO]- 197.09317 172.3
[M+Na-2H]- 159.05399 134.7
[M]+ 138.07877 124.7
[M]- 138.07987 124.7
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