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]+ 208.11545 147.7
[M+Na]+ 230.09739 156.0
[M-H]- 206.10089 153.4
[M+NH4]+ 225.14199 171.6
[M+K]+ 246.07133 152.8
[M+H-H2O]+ 190.10543 142.1
[M+HCOO]- 252.10637 165.5
[M+CH3COO]- 266.12202 183.4
[M+Na-2H]- 228.08284 147.0
[M]+ 207.10762 148.1
[M]- 207.10872 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.