CID 51063797

1235441-03-8

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1CC(C1)COC2=CC=CC(=N2)C(=O)O
InChI
InChI=1S/C11H13NO3/c13-11(14)9-5-2-6-10(12-9)15-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H,13,14)
InChIKey
KVHXNUQVENXOKS-UHFFFAOYSA-N
Compound name
6-(cyclobutylmethoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 141.9
[M+Na]+ 230.07876 146.9
[M-H]- 206.08226 145.4
[M+NH4]+ 225.12336 151.9
[M+K]+ 246.05270 148.2
[M+H-H2O]+ 190.08680 129.3
[M+HCOO]- 252.08774 161.0
[M+CH3COO]- 266.10339 186.1
[M+Na-2H]- 228.06421 146.3
[M]+ 207.08899 150.1
[M]- 207.09009 150.1
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.