CID 152537197

Lithium(1+) 2-(6-chloropyridin-2-yl)-2-methoxyacetate

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC(C1=NC(=CC=C1)Cl)C(=O)O
InChI
InChI=1S/C8H8ClNO3/c1-13-7(8(11)12)5-3-2-4-6(9)10-5/h2-4,7H,1H3,(H,11,12)
InChIKey
YKUATUOARSFPIQ-UHFFFAOYSA-N
Compound name
2-(6-chloro-2-pyridinyl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.01927 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.026546 136.5
[M+Na]+ 224.008488 145.3
[M-H]- 200.011994 137.8
[M+NH4]+ 219.053093 154.5
[M+K]+ 239.982428 142.6
[M+H-H2O]+ 184.016530 131.2
[M+HCOO]- 246.017471 153.0
[M+CH3COO]- 260.033121 180.2
[M+Na-2H]- 221.993936 141.4
[M]+ 201.01872142 139.5
[M]- 201.01981858 139.5
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.