CID 210731

21594-76-3

Structural Information

Molecular Formula
C15H24N2S
SMILES
CN1CCN(CC1)C2(CCCCC2)C3=CC=CS3
InChI
InChI=1S/C15H24N2S/c1-16-9-11-17(12-10-16)15(7-3-2-4-8-15)14-6-5-13-18-14/h5-6,13H,2-4,7-12H2,1H3
InChIKey
ZBIWCGAYHOHWCW-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-thiophen-2-ylcyclohexyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16602 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17330 162.9
[M+Na]+ 287.15524 173.7
[M+NH4]+ 282.19984 174.1
[M+K]+ 303.12918 163.8
[M-H]- 263.15874 168.2
[M+Na-2H]- 285.14069 171.0
[M]+ 264.16547 166.5
[M]- 264.16657 166.5
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.