CID 23272956

6-butoxynicotinic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
CCCCOC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-2-3-6-14-9-5-4-8(7-11-9)10(12)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)
InChIKey
KYZLWBKEIIMVQV-UHFFFAOYSA-N
Compound name
6-butoxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

195.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 142.2
[M+Na]+ 218.07876 153.8
[M+NH4]+ 213.12336 148.9
[M+K]+ 234.05270 148.6
[M-H]- 194.08226 142.2
[M+Na-2H]- 216.06421 147.5
[M]+ 195.08899 143.6
[M]- 195.09009 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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