CID 24842938

102207-38-5

Structural Information

Molecular Formula
C15H24NS2
SMILES
C[N+]1(CCCCC1)C2(CCSCC2)C3=CC=CS3
InChI
InChI=1S/C15H24NS2/c1-16(9-3-2-4-10-16)15(7-12-17-13-8-15)14-6-5-11-18-14/h5-6,11H,2-4,7-10,12-13H2,1H3/q+1
InChIKey
SHOLXTGQVHBSFB-UHFFFAOYSA-N
Compound name
1-methyl-1-(4-thiophen-2-ylthian-4-yl)piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14228 160.3
[M+Na]+ 305.12422 164.4
[M-H]- 281.12772 166.8
[M+NH4]+ 300.16882 180.4
[M+K]+ 321.09816 155.0
[M+H-H2O]+ 265.13226 156.2
[M+HCOO]- 327.13320 166.5
[M+CH3COO]- 341.14885 187.2
[M+Na-2H]- 303.10967 162.0
[M]+ 282.13445 152.8
[M]- 282.13555 152.8
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.