CID 127018514

1227593-33-0

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC1=NC=CC(=C1Cl)CC(=O)O
InChI
InChI=1S/C8H8ClNO3/c1-13-8-7(9)5(2-3-10-8)4-6(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
DSIOCIXWGYTDEG-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-methoxypyridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.01927 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 136.3
[M+Na]+ 224.00849 146.3
[M-H]- 200.01199 137.9
[M+NH4]+ 219.05309 154.7
[M+K]+ 239.98243 143.2
[M+H-H2O]+ 184.01653 131.2
[M+HCOO]- 246.01747 153.8
[M+CH3COO]- 260.03312 180.5
[M+Na-2H]- 221.99394 141.7
[M]+ 201.01872 140.3
[M]- 201.01982 140.3
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.