CID 165663752

4-(3-bromopyridin-2-yl)butanoic acid

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
C1=CC(=C(N=C1)CCCC(=O)O)Br
InChI
InChI=1S/C9H10BrNO2/c10-7-3-2-6-11-8(7)4-1-5-9(12)13/h2-3,6H,1,4-5H2,(H,12,13)
InChIKey
MLJMAUGZYHPECU-UHFFFAOYSA-N
Compound name
4-(3-bromopyridin-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 144.4
[M+Na]+ 265.97871 147.2
[M+NH4]+ 261.02331 148.2
[M+K]+ 281.95265 147.6
[M-H]- 241.98221 143.5
[M+Na-2H]- 263.96416 147.1
[M]+ 242.98894 143.2
[M]- 242.99004 143.2
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.