CID 11241609

294659-30-6

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

CC(C)(C)OC(=O)N1C=CC=C1C(=O)OC

InChI

InChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5-7H,1-4H3

InChIKey

BLKOYCNYVYTNAG-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 2-O-methyl pyrrole-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 225.10011 Da
Monoisotopic Mass: 2.1
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]+	226.10739	150.0
[M+Na]+	248.08933	158.9
[M+NH4]+	243.13393	155.4
[M+K]+	264.06327	157.9
[M-H]-	224.09283	147.9
[M+Na-2H]-	246.07478	152.8
[M]+	225.09956	150.3
[M]-	225.10066	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe