CID 30379

(1-benzylcyclohexyl)trimethylammonium iodide

Structural Information

Molecular Formula
C16H26N
SMILES
C[N+](C)(C)C1(CCCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H26N/c1-17(2,3)16(12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3/q+1
InChIKey
MWYVXRRIQJGJGW-UHFFFAOYSA-N
Compound name
(1-benzylcyclohexyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.20653 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.21381 155.7
[M+Na]+ 255.19575 159.2
[M-H]- 231.19925 162.8
[M+NH4]+ 250.24035 175.5
[M+K]+ 271.16969 151.4
[M+H-H2O]+ 215.20379 151.5
[M+HCOO]- 277.20473 175.7
[M+CH3COO]- 291.22038 190.1
[M+Na-2H]- 253.18120 164.4
[M]+ 232.20598 150.6
[M]- 232.20708 150.6
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.