CID 72216717

Sodium 2-(4-bromo-6-methylpyridin-2-yl)acetate

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC1=CC(=CC(=N1)CC(=O)O)Br
InChI
InChI=1S/C8H8BrNO2/c1-5-2-6(9)3-7(10-5)4-8(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
IVAVULBBXFBBCW-UHFFFAOYSA-N
Compound name
2-(4-bromo-6-methylpyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 137.9
[M+Na]+ 251.96307 150.1
[M-H]- 227.96657 142.1
[M+NH4]+ 247.00767 157.9
[M+K]+ 267.93701 139.2
[M+H-H2O]+ 211.97111 137.9
[M+HCOO]- 273.97205 157.2
[M+CH3COO]- 287.98770 185.0
[M+Na-2H]- 249.94852 144.7
[M]+ 228.97330 156.9
[M]- 228.97440 156.9
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.