CID 21897735

832714-60-0

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(C)OC1=CN=C(C=C1)C(=O)O

InChI

InChI=1S/C9H11NO3/c1-6(2)13-7-3-4-8(9(11)12)10-5-7/h3-6H,1-2H3,(H,11,12)

InChIKey

UMQXTTPXTATBGI-UHFFFAOYSA-N

Compound name

5-propan-2-yloxypyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 181.0739 Da
Monoisotopic Mass: 1.5
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]+	182.08118	137.6
[M+Na]+	204.06312	149.1
[M+NH4]+	199.10772	144.4
[M+K]+	220.03706	144.9
[M-H]-	180.06662	137.5
[M+Na-2H]-	202.04857	142.9
[M]+	181.07335	138.9
[M]-	181.07445	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe