CID 25918918

5-bromo-2-(cyclopropylmethoxy)nicotinic acid

Structural Information

Molecular Formula
C10H10BrNO3
SMILES
C1CC1COC2=C(C=C(C=N2)Br)C(=O)O
InChI
InChI=1S/C10H10BrNO3/c11-7-3-8(10(13)14)9(12-4-7)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKey
KVQVQIRJMFHYOP-UHFFFAOYSA-N
Compound name
5-bromo-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.9844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99168 151.4
[M+Na]+ 293.97362 164.3
[M-H]- 269.97712 159.0
[M+NH4]+ 289.01822 165.2
[M+K]+ 309.94756 152.5
[M+H-H2O]+ 253.98166 150.2
[M+HCOO]- 315.98260 170.8
[M+CH3COO]- 329.99825 194.0
[M+Na-2H]- 291.95907 157.2
[M]+ 270.98385 172.6
[M]- 270.98495 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.