CID 13111

2-dodecyl-2-methyl-2-azoniaspiro(4.5)decane iodide

Structural Information

Molecular Formula
C22H44N
SMILES
CCCCCCCCCCCC[N+]1(CCC2(C1)CCCCC2)C
InChI
InChI=1S/C22H44N/c1-3-4-5-6-7-8-9-10-11-15-19-23(2)20-18-22(21-23)16-13-12-14-17-22/h3-21H2,1-2H3/q+1
InChIKey
OHNVNUKZYQFOSP-UHFFFAOYSA-N
Compound name
2-dodecyl-2-methyl-2-azoniaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.34738 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.35466 188.9
[M+Na]+ 345.33660 189.3
[M-H]- 321.34010 190.3
[M+NH4]+ 340.38120 207.4
[M+K]+ 361.31054 179.1
[M+H-H2O]+ 305.34464 183.5
[M+HCOO]- 367.34558 202.3
[M+CH3COO]- 381.36123 203.7
[M+Na-2H]- 343.32205 189.7
[M]+ 322.34683 184.3
[M]- 322.34793 184.3
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.