CID 54682595

182352-48-3

Structural Information

Molecular Formula

C₉H₁₃NO₄

SMILES

CC(C)(C)OC(=O)N1CC(=CC1=O)O

InChI

InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-5-6(11)4-7(10)12/h4,11H,5H2,1-3H3

InChIKey

FUOLLMGMLYOWGP-UHFFFAOYSA-N

Compound name

tert-butyl 3-hydroxy-5-oxo-2H-pyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 199.08446 Da
Monoisotopic Mass: 0.4
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]+	200.09174	143.0
[M+Na]+	222.07368	151.5
[M+NH4]+	217.11828	148.4
[M+K]+	238.04762	150.9
[M-H]-	198.07718	140.5
[M+Na-2H]-	220.05913	144.9
[M]+	199.08391	143.1
[M]-	199.08501	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe