CID 5126319

2-(5-methylthiophen-2-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C9H13NS
SMILES
CC1=CC=C(S1)C2CCCN2
InChI
InChI=1S/C9H13NS/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3
InChIKey
WBJASOWBXMIUHI-UHFFFAOYSA-N
Compound name
2-(5-methylthiophen-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 136.7
[M+Na]+ 190.066088 144.8
[M-H]- 166.069594 141.3
[M+NH4]+ 185.110693 159.6
[M+K]+ 206.040028 141.9
[M+H-H2O]+ 150.074130 131.2
[M+HCOO]- 212.075071 153.8
[M+CH3COO]- 226.090721 150.0
[M+Na-2H]- 188.051536 135.8
[M]+ 167.07632142 134.6
[M]- 167.07741858 134.6
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

patents stripe