CID 71301080

102433-02-3

Structural Information

Molecular Formula
C15H22N
SMILES
C[N+]1([C@@H]2CC[C@H]1CC(C2)C3=CC=CC=C3)C
InChI
InChI=1S/C15H22N/c1-16(2)14-8-9-15(16)11-13(10-14)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1/t13?,14-,15+
InChIKey
JAIOBUPGNNBOHK-GOOCMWNKSA-N
Compound name
(1R,5S)-8,8-dimethyl-3-phenyl-8-azoniabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.18251 151.3
[M+Na]+ 239.16445 157.7
[M-H]- 215.16795 155.8
[M+NH4]+ 234.20905 173.9
[M+K]+ 255.13839 148.0
[M+H-H2O]+ 199.17249 147.0
[M+HCOO]- 261.17343 168.2
[M+CH3COO]- 275.18908 183.1
[M+Na-2H]- 237.14990 157.6
[M]+ 216.17468 146.2
[M]- 216.17578 146.2
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.