CID 3056240

73604-73-6

Structural Information

Molecular Formula
C12H17NS
SMILES
CN1CCC(C1)(CC=C)C2=CC=CS2
InChI
InChI=1S/C12H17NS/c1-3-6-12(7-8-13(2)10-12)11-5-4-9-14-11/h3-5,9H,1,6-8,10H2,2H3
InChIKey
SGTUHYRVXNIIIY-UHFFFAOYSA-N
Compound name
1-methyl-3-prop-2-enyl-3-thiophen-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10817 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.115446 147.7
[M+Na]+ 230.097388 156.0
[M-H]- 206.100894 153.4
[M+NH4]+ 225.141993 171.6
[M+K]+ 246.071328 152.8
[M+H-H2O]+ 190.105430 142.1
[M+HCOO]- 252.106371 165.5
[M+CH3COO]- 266.122021 183.4
[M+Na-2H]- 228.082836 147.0
[M]+ 207.10762142 148.1
[M]- 207.10871858 148.1
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.