CID 25116526

6-(cyclopropylmethoxy)nicotinic acid

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

C1CC1COC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C10H11NO3/c12-10(13)8-3-4-9(11-5-8)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13)

InChIKey

QKESUAZALAOHJO-UHFFFAOYSA-N

Compound name

6-(cyclopropylmethoxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 193.0739 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.081176	141.9
[M+Na]+	216.063118	151.2
[M-H]-	192.066624	146.9
[M+NH4]+	211.107723	154.5
[M+K]+	232.037058	148.0
[M+H-H2O]+	176.071160	134.6
[M+HCOO]-	238.072101	163.7
[M+CH3COO]-	252.087751	183.4
[M+Na-2H]-	214.048566	147.5
[M]+	193.07335142	145.2
[M]-	193.07444858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe