CID 84698246

2-amino-3-(3,5-dichloropyridin-4-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H8Cl2N2O2
SMILES
C1=C(C(=C(C=N1)Cl)CC(C(=O)O)N)Cl
InChI
InChI=1S/C8H8Cl2N2O2/c9-5-2-12-3-6(10)4(5)1-7(11)8(13)14/h2-3,7H,1,11H2,(H,13,14)
InChIKey
XYGFNZMYCXHXHU-UHFFFAOYSA-N
Compound name
2-amino-3-(3,5-dichloropyridin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

233.99628 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00356 143.9
[M+Na]+ 256.98550 153.0
[M-H]- 232.98900 144.3
[M+NH4]+ 252.03010 160.7
[M+K]+ 272.95944 148.1
[M+H-H2O]+ 216.99354 139.5
[M+HCOO]- 278.99448 155.5
[M+CH3COO]- 293.01013 188.4
[M+Na-2H]- 254.97095 146.5
[M]+ 233.99573 145.1
[M]- 233.99683 145.1
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

patents stripe