CID 130001149

Methyl 5-(pyrrolidin-2-yl)thiophene-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

COC(=O)C1=CC=C(S1)C2CCCN2

InChI

InChI=1S/C10H13NO2S/c1-13-10(12)9-5-4-8(14-9)7-3-2-6-11-7/h4-5,7,11H,2-3,6H2,1H3

InChIKey

DPUGWQFBYPFMQG-UHFFFAOYSA-N

Compound name

methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.0667 Da
Monoisotopic Mass: 1.7
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]+	212.073976	148.3
[M+Na]+	234.055918	155.6
[M-H]-	210.059424	152.8
[M+NH4]+	229.100523	169.2
[M+K]+	250.029858	153.2
[M+H-H2O]+	194.063960	142.6
[M+HCOO]-	256.064901	164.6
[M+CH3COO]-	270.080551	179.4
[M+Na-2H]-	232.041366	146.0
[M]+	211.06615142	147.9
[M]-	211.06724858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.