CID 60903617

2-(butan-2-yloxy)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
CCC(C)OC1=NC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-3-7(2)14-9-6-8(10(12)13)4-5-11-9/h4-7H,3H2,1-2H3,(H,12,13)
InChIKey
NXRLBXTVLZAZCP-UHFFFAOYSA-N
Compound name
2-butan-2-yloxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.5
[M+Na]+ 218.07876 148.7
[M-H]- 194.08226 142.5
[M+NH4]+ 213.12336 158.9
[M+K]+ 234.05270 147.4
[M+H-H2O]+ 178.08680 135.0
[M+HCOO]- 240.08774 161.8
[M+CH3COO]- 254.10339 182.4
[M+Na-2H]- 216.06421 145.6
[M]+ 195.08899 143.2
[M]- 195.09009 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.