CID 16794086

2-[(5-chloropyridin-2-yl)(methyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CN(CC(=O)O)C1=NC=C(C=C1)Cl
InChI
InChI=1S/C8H9ClN2O2/c1-11(5-8(12)13)7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,12,13)
InChIKey
JXEHYXKQIRBXDX-UHFFFAOYSA-N
Compound name
2-[(5-chloropyridin-2-yl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03525 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 138.4
[M+Na]+ 223.02447 146.8
[M-H]- 199.02797 141.0
[M+NH4]+ 218.06907 156.9
[M+K]+ 238.99841 144.4
[M+H-H2O]+ 183.03251 132.5
[M+HCOO]- 245.03345 157.2
[M+CH3COO]- 259.04910 185.6
[M+Na-2H]- 221.00992 144.0
[M]+ 200.03470 141.0
[M]- 200.03580 141.0
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.