CID 13660

1,3,3,8,8-pentamethyl-3-azoniabicyclo(3.2.1)octane iodide

Structural Information

Molecular Formula
C12H24N
SMILES
CC1(C2CCC1(C[N+](C2)(C)C)C)C
InChI
InChI=1S/C12H24N/c1-11(2)10-6-7-12(11,3)9-13(4,5)8-10/h10H,6-9H2,1-5H3/q+1
InChIKey
AMTHKVRAVJJVJT-UHFFFAOYSA-N
Compound name
1,3,3,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

73
Patents

182.19087 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.19815 138.8
[M+Na]+ 205.18009 147.4
[M-H]- 181.18359 140.9
[M+NH4]+ 200.22469 167.2
[M+K]+ 221.15403 139.6
[M+H-H2O]+ 165.18813 137.6
[M+HCOO]- 227.18907 155.4
[M+CH3COO]- 241.20472 178.3
[M+Na-2H]- 203.16554 147.4
[M]+ 182.19032 136.1
[M]- 182.19142 136.1
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

patents stripe