CID 83530985

1516571-42-8

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC1=CC(=O)C(=CN1C2CC2)C(=O)O

InChI

InChI=1S/C10H11NO3/c1-6-4-9(12)8(10(13)14)5-11(6)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14)

InChIKey

RVSBPEJBKHUQRY-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-methyl-4-oxopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 193.0739 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]+	194.08118	140.6
[M+Na]+	216.06312	151.9
[M-H]-	192.06662	146.4
[M+NH4]+	211.10772	153.8
[M+K]+	232.03706	147.9
[M+H-H2O]+	176.07116	133.9
[M+HCOO]-	238.07210	162.5
[M+CH3COO]-	252.08775	185.0
[M+Na-2H]-	214.04857	144.8
[M]+	193.07335	144.1
[M]-	193.07445	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe