CID 10845591

128372-91-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC1C=CC(=O)N1C(=O)OC(C)(C)C

InChI

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

InChIKey

ZQUJUMROTWQJDY-UHFFFAOYSA-N

Compound name

tert-butyl 2-methyl-5-oxo-2H-pyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 197.1052 Da
Monoisotopic Mass: 1.4
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]+	198.112476	142.7
[M+Na]+	220.094418	151.4
[M-H]-	196.097924	145.6
[M+NH4]+	215.139023	163.2
[M+K]+	236.068358	150.9
[M+H-H2O]+	180.102460	137.7
[M+HCOO]-	242.103401	163.5
[M+CH3COO]-	256.119051	183.2
[M+Na-2H]-	218.079866	145.6
[M]+	197.10465142	145.2
[M]-	197.10574858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe