CID 130002335

Methyl 5-(pyrrolidin-2-yl)thiophene-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H13NO2S
SMILES
COC(=O)C1=CSC(=C1)C2CCCN2
InChI
InChI=1S/C10H13NO2S/c1-13-10(12)7-5-9(14-6-7)8-3-2-4-11-8/h5-6,8,11H,2-4H2,1H3
InChIKey
UMNMDIVLHKCFAJ-UHFFFAOYSA-N
Compound name
methyl 5-pyrrolidin-2-ylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 148.3
[M+Na]+ 234.05592 155.6
[M-H]- 210.05942 152.8
[M+NH4]+ 229.10052 169.2
[M+K]+ 250.02986 153.2
[M+H-H2O]+ 194.06396 142.6
[M+HCOO]- 256.06490 164.6
[M+CH3COO]- 270.08055 179.4
[M+Na-2H]- 232.04137 146.0
[M]+ 211.06615 147.9
[M]- 211.06725 147.9
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.