CID 2456577

796079-90-8

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)O

InChI

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

InChIKey

BUDAPQLSIBPJFI-UHFFFAOYSA-N

Compound name

3,5-dimethyl-4-propan-2-yloxycarbonyl-1H-pyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 225.10011 Da
Monoisotopic Mass: 2.0
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]+	226.10739	151.1
[M+Na]+	248.08933	159.5
[M+NH4]+	243.13393	155.8
[M+K]+	264.06327	159.1
[M-H]-	224.09283	148.4
[M+Na-2H]-	246.07478	151.8
[M]+	225.09956	151.0
[M]-	225.10066	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.