CID 82669316

2-{[(2-chloropyridin-3-yl)methyl]amino}ethan-1-ol

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
C1=CC(=C(N=C1)Cl)CNCCO
InChI
InChI=1S/C8H11ClN2O/c9-8-7(2-1-3-11-8)6-10-4-5-12/h1-3,10,12H,4-6H2
InChIKey
NJXJFNLZGBNACW-UHFFFAOYSA-N
Compound name
2-[(2-chloropyridin-3-yl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05598 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06326 137.1
[M+Na]+ 209.04520 145.3
[M-H]- 185.04870 137.8
[M+NH4]+ 204.08980 155.6
[M+K]+ 225.01914 141.0
[M+H-H2O]+ 169.05324 131.3
[M+HCOO]- 231.05418 155.8
[M+CH3COO]- 245.06983 180.1
[M+Na-2H]- 207.03065 144.5
[M]+ 186.05543 138.2
[M]- 186.05653 138.2
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.