CID 14449691

Ethyl 5-(propan-2-yl)-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CCOC(=O)C1=CC=C(N1)C(C)C

InChI

InChI=1S/C10H15NO2/c1-4-13-10(12)9-6-5-8(11-9)7(2)3/h5-7,11H,4H2,1-3H3

InChIKey

DIKSRSZYQUJHDD-UHFFFAOYSA-N

Compound name

ethyl 5-propan-2-yl-1H-pyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 Da
Monoisotopic Mass: 2.4
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]+	182.11756	141.6
[M+Na]+	204.09950	151.3
[M+NH4]+	199.14410	148.5
[M+K]+	220.07344	148.6
[M-H]-	180.10300	141.0
[M+Na-2H]-	202.08495	145.1
[M]+	181.10973	142.5
[M]-	181.11083	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe