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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 147.7
[M+Na]+ 234.05592 156.3
[M+NH4]+ 229.10052 155.8
[M+K]+ 250.02986 152.9
[M-H]- 210.05942 149.1
[M+Na-2H]- 232.04137 151.3
[M]+ 211.06615 149.4
[M]- 211.06725 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.