CID 45089951

35957-74-5

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CCOC(=O)C1=CCNC1

InChI

InChI=1S/C7H11NO2/c1-2-10-7(9)6-3-4-8-5-6/h3,8H,2,4-5H2,1H3

InChIKey

WTCNXDDZKQIMLP-UHFFFAOYSA-N

Compound name

ethyl 2,5-dihydro-1H-pyrrole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 141.07898 Da
Monoisotopic Mass: 0.0
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]+	142.08626	129.9
[M+Na]+	164.06820	136.6
[M-H]-	140.07170	130.5
[M+NH4]+	159.11280	151.0
[M+K]+	180.04214	135.6
[M+H-H2O]+	124.07624	124.0
[M+HCOO]-	186.07718	151.2
[M+CH3COO]-	200.09283	169.0
[M+Na-2H]-	162.05365	134.0
[M]+	141.07843	128.4
[M]-	141.07953	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe