CID 152537197

2580208-08-6

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-chloropyridin-2-yl)-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]+ 202.02655 136.5
[M+Na]+ 224.00849 145.3
[M-H]- 200.01199 137.8
[M+NH4]+ 219.05309 154.5
[M+K]+ 239.98243 142.6
[M+H-H2O]+ 184.01653 131.2
[M+HCOO]- 246.01747 153.0
[M+CH3COO]- 260.03312 180.2
[M+Na-2H]- 221.99394 141.4
[M]+ 201.01872 139.5
[M]- 201.01982 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.