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-chloro-3-pyridinyl)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]+ 187.063256 137.1
[M+Na]+ 209.045198 145.3
[M-H]- 185.048704 137.8
[M+NH4]+ 204.089803 155.6
[M+K]+ 225.019138 141.0
[M+H-H2O]+ 169.053240 131.3
[M+HCOO]- 231.054181 155.8
[M+CH3COO]- 245.069831 180.1
[M+Na-2H]- 207.030646 144.5
[M]+ 186.05543142 138.2
[M]- 186.05652858 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.