CID 83236445

2-bromo-6-cyclopropylpyridine-4-carboxylic acid

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1CC1C2=NC(=CC(=C2)C(=O)O)Br
InChI
InChI=1S/C9H8BrNO2/c10-8-4-6(9(12)13)3-7(11-8)5-1-2-5/h3-5H,1-2H2,(H,12,13)
InChIKey
HDYDGWFRESWWTG-UHFFFAOYSA-N
Compound name
2-bromo-6-cyclopropylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 144.0
[M+Na]+ 263.96307 157.6
[M-H]- 239.96657 151.9
[M+NH4]+ 259.00767 159.1
[M+K]+ 279.93701 145.6
[M+H-H2O]+ 223.97111 143.2
[M+HCOO]- 285.97205 163.7
[M+CH3COO]- 299.98770 189.5
[M+Na-2H]- 261.94852 150.4
[M]+ 240.97330 163.7
[M]- 240.97440 163.7
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.