CID 132264904

Schembl19752764

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC1=CC(=O)CN(C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H17NO3/c1-8-5-9(13)7-12(6-8)10(14)15-11(2,3)4/h5H,6-7H2,1-4H3

InChIKey

IFEVBQPFTKMGHV-UHFFFAOYSA-N

Compound name

tert-butyl 3-methyl-5-oxo-2,6-dihydropyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.12085 Da
Monoisotopic Mass: 1.0
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]+	212.12813	146.6
[M+Na]+	234.11007	153.9
[M-H]-	210.11357	149.0
[M+NH4]+	229.15467	164.6
[M+K]+	250.08401	153.3
[M+H-H2O]+	194.11811	140.9
[M+HCOO]-	256.11905	164.9
[M+CH3COO]-	270.13470	186.5
[M+Na-2H]-	232.09552	150.2
[M]+	211.12030	147.4
[M]-	211.12140	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe