CID 3056250

73604-80-5

Structural Information

Molecular Formula
C12H15NS
SMILES
CC1(CCN(C1)CC#C)C2=CC=CS2
InChI
InChI=1S/C12H15NS/c1-3-7-13-8-6-12(2,10-13)11-5-4-9-14-11/h1,4-5,9H,6-8,10H2,2H3
InChIKey
VBZNDJCQFMQQHT-UHFFFAOYSA-N
Compound name
3-methyl-1-prop-2-ynyl-3-thiophen-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.09251 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09979 140.1
[M+Na]+ 228.08173 150.6
[M+NH4]+ 223.12633 147.3
[M+K]+ 244.05567 140.8
[M-H]- 204.08523 135.1
[M+Na-2H]- 226.06718 144.3
[M]+ 205.09196 139.9
[M]- 205.09306 139.9
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.