CID 422474

Nsc144264

Structural Information

Molecular Formula
C15H22N
SMILES
C[N+]1(CC12CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N/c1-16(12-14-8-4-2-5-9-14)13-15(16)10-6-3-7-11-15/h2,4-5,8-9H,3,6-7,10-13H2,1H3/q+1
InChIKey
DKBVJLPSQMITQY-UHFFFAOYSA-N
Compound name
1-benzyl-1-methyl-1-azoniaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.18251 148.4
[M+Na]+ 239.16445 155.4
[M-H]- 215.16795 155.9
[M+NH4]+ 234.20905 164.4
[M+K]+ 255.13839 148.3
[M+H-H2O]+ 199.17249 143.6
[M+HCOO]- 261.17343 166.6
[M+CH3COO]- 275.18908 184.0
[M+Na-2H]- 237.14990 157.7
[M]+ 216.17468 144.8
[M]- 216.17578 144.8
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.