CID 54678599

Tenuazonic acid

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CCC(C)C1C(=C(C(=O)N1)C(=O)C)O

InChI

InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)

InChIKey

CEIZFXOZIQNICU-UHFFFAOYSA-N

Compound name

4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 200
References: 34447
Patents: 197.1052 Da
Monoisotopic Mass: 1.2
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]+	198.11248	145.2
[M+Na]+	220.09442	153.7
[M+NH4]+	215.13902	150.7
[M+K]+	236.06836	152.4
[M-H]-	196.09792	143.2
[M+Na-2H]-	218.07987	146.1
[M]+	197.10465	145.3
[M]-	197.10575	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe