CID 57090

96434-95-6

Structural Information

Molecular Formula
C12H23ClN
SMILES
CC1(C2(CCC1(C[N+](C2)(C)C)Cl)C)C
InChI
InChI=1S/C12H23ClN/c1-10(2)11(3)6-7-12(10,13)9-14(4,5)8-11/h6-9H2,1-5H3/q+1
InChIKey
HANZOPCAZRXFGR-UHFFFAOYSA-N
Compound name
1-chloro-3,3,5,8,8-pentamethyl-3-azoniabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1519 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15918 141.3
[M+Na]+ 239.14112 151.4
[M-H]- 215.14462 143.5
[M+NH4]+ 234.18572 170.9
[M+K]+ 255.11506 141.9
[M+H-H2O]+ 199.14916 141.2
[M+HCOO]- 261.15010 153.4
[M+CH3COO]- 275.16575 182.3
[M+Na-2H]- 237.12657 150.7
[M]+ 216.15135 140.7
[M]- 216.15245 140.7
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.