CID 210778

4-methyl-4-(1-(2-thienyl)cyclohexyl)morpholinium, iodide

Structural Information

Molecular Formula
C15H24NOS
SMILES
C[N+]1(CCOCC1)C2(CCCCC2)C3=CC=CS3
InChI
InChI=1S/C15H24NOS/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/q+1
InChIKey
HDVJHULZGWXKDE-UHFFFAOYSA-N
Compound name
4-methyl-4-(1-thiophen-2-ylcyclohexyl)morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15787 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16515 159.8
[M+Na]+ 289.14709 163.4
[M-H]- 265.15059 167.4
[M+NH4]+ 284.19169 178.9
[M+K]+ 305.12103 156.1
[M+H-H2O]+ 249.15513 155.1
[M+HCOO]- 311.15607 170.4
[M+CH3COO]- 325.17172 184.3
[M+Na-2H]- 287.13254 163.5
[M]+ 266.15732 152.7
[M]- 266.15842 152.7
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.