CID 81135

6636-71-1

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1=CC=NC(=C1)CNCCO
InChI
InChI=1S/C8H12N2O/c11-6-5-9-7-8-3-1-2-4-10-8/h1-4,9,11H,5-7H2
InChIKey
VLMNYMSCQPXJDR-UHFFFAOYSA-N
Compound name
2-(pyridin-2-ylmethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

172
Patents

152.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.7
[M+Na]+ 175.08418 143.3
[M+NH4]+ 170.12878 139.8
[M+K]+ 191.05812 136.9
[M-H]- 151.08768 133.5
[M+Na-2H]- 173.06963 138.9
[M]+ 152.09441 133.7
[M]- 152.09551 133.7
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