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 143.2
[M+Na]+ 265.97871 154.1
[M-H]- 241.98221 146.9
[M+NH4]+ 261.02331 162.4
[M+K]+ 281.95265 142.9
[M+H-H2O]+ 225.98675 142.8
[M+HCOO]- 287.98769 162.2
[M+CH3COO]- 302.00334 186.7
[M+Na-2H]- 263.96416 150.1
[M]+ 242.98894 162.2
[M]- 242.99004 162.2
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.