CID 54594904

2-methyl-4-(thiophen-3-yl)pyrrolidine

Structural Information

Molecular Formula
C9H13NS
SMILES
CC1CC(CN1)C2=CSC=C2
InChI
InChI=1S/C9H13NS/c1-7-4-9(5-10-7)8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKey
LOHWQGFZYGZIOQ-UHFFFAOYSA-N
Compound name
2-methyl-4-thiophen-3-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08415 136.7
[M+Na]+ 190.06609 144.8
[M-H]- 166.06959 141.3
[M+NH4]+ 185.11069 159.6
[M+K]+ 206.04003 141.9
[M+H-H2O]+ 150.07413 131.2
[M+HCOO]- 212.07507 153.8
[M+CH3COO]- 226.09072 150.0
[M+Na-2H]- 188.05154 135.8
[M]+ 167.07632 134.6
[M]- 167.07742 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

No patent data available for this compound.