CID 82658469

209527-00-4

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
C1=CC(=NC=C1Cl)CC(C(=O)O)N
InChI
InChI=1S/C8H9ClN2O2/c9-5-1-2-6(11-4-5)3-7(10)8(12)13/h1-2,4,7H,3,10H2,(H,12,13)
InChIKey
KVPJWMAKACNVGD-UHFFFAOYSA-N
Compound name
2-amino-3-(5-chloropyridin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03525 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 139.5
[M+Na]+ 223.02447 147.4
[M-H]- 199.02797 140.1
[M+NH4]+ 218.06907 156.9
[M+K]+ 238.99841 143.7
[M+H-H2O]+ 183.03251 133.9
[M+HCOO]- 245.03345 156.1
[M+CH3COO]- 259.04910 182.5
[M+Na-2H]- 221.00992 143.4
[M]+ 200.03470 139.2
[M]- 200.03580 139.2
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.