CID 30382

(1-benzylcyclopentyl)trimethylammonium iodide

Structural Information

Molecular Formula
C15H24N
SMILES
C[N+](C)(C)C1(CCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H24N/c1-16(2,3)15(11-7-8-12-15)13-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-13H2,1-3H3/q+1
InChIKey
PNZWIPBQASQART-UHFFFAOYSA-N
Compound name
(1-benzylcyclopentyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.19087 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.19815 151.7
[M+Na]+ 241.18009 156.6
[M-H]- 217.18359 159.3
[M+NH4]+ 236.22469 174.0
[M+K]+ 257.15403 148.8
[M+H-H2O]+ 201.18813 148.2
[M+HCOO]- 263.18907 174.2
[M+CH3COO]- 277.20472 186.7
[M+Na-2H]- 239.16554 159.7
[M]+ 218.19032 148.3
[M]- 218.19142 148.3
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.