CID 24265020

3-amino-2-(pyridin-2-ylmethyl)propan-1-ol

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1=CC=NC(=C1)CC(CN)CO
InChI
InChI=1S/C9H14N2O/c10-6-8(7-12)5-9-3-1-2-4-11-9/h1-4,8,12H,5-7,10H2
InChIKey
SSSSWZSGKWVJQW-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-pyridin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 137.0
[M+Na]+ 189.09983 142.8
[M-H]- 165.10333 137.0
[M+NH4]+ 184.14443 154.8
[M+K]+ 205.07377 140.4
[M+H-H2O]+ 149.10787 130.2
[M+HCOO]- 211.10881 158.4
[M+CH3COO]- 225.12446 178.4
[M+Na-2H]- 187.08528 142.8
[M]+ 166.11006 134.5
[M]- 166.11116 134.5
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.