CID 131422750

Methyl 2-amino-2-(2-chloropyridin-4-yl)acetate dihydrochloride

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
COC(=O)C(C1=CC(=NC=C1)Cl)N
InChI
InChI=1S/C8H9ClN2O2/c1-13-8(12)7(10)5-2-3-11-6(9)4-5/h2-4,7H,10H2,1H3
InChIKey
QQSKCIHDSHZDBT-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2-chloropyridin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03525 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 139.1
[M+Na]+ 223.02447 151.1
[M+NH4]+ 218.06907 146.6
[M+K]+ 238.99841 146.1
[M-H]- 199.02797 140.1
[M+Na-2H]- 221.00992 145.0
[M]+ 200.03470 141.1
[M]- 200.03580 141.1
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.