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]+ 208.096816 141.9
[M+Na]+ 230.078758 146.9
[M-H]- 206.082264 145.4
[M+NH4]+ 225.123363 151.9
[M+K]+ 246.052698 148.2
[M+H-H2O]+ 190.086800 129.3
[M+HCOO]- 252.087741 161.0
[M+CH3COO]- 266.103391 186.1
[M+Na-2H]- 228.064206 146.3
[M]+ 207.08899142 150.1
[M]- 207.09008858 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.