CID 2768491

900019-50-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC(=O)C1=CC(=CN1)C(=O)C2CC2

InChI

InChI=1S/C10H11NO3/c1-14-10(13)8-4-7(5-11-8)9(12)6-2-3-6/h4-6,11H,2-3H2,1H3

InChIKey

ARKUXUKWKVFIBU-UHFFFAOYSA-N

Compound name

methyl 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.0739 Da
Monoisotopic Mass: 1.0
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]+	194.081176	141.3
[M+Na]+	216.063118	150.6
[M-H]-	192.066624	146.5
[M+NH4]+	211.107723	155.6
[M+K]+	232.037058	147.1
[M+H-H2O]+	176.071160	134.9
[M+HCOO]-	238.072101	162.9
[M+CH3COO]-	252.087751	182.8
[M+Na-2H]-	214.048566	143.6
[M]+	193.07335142	144.0
[M]-	193.07444858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe