CID 22610356

22559-57-5

Structural Information

Molecular Formula

C₁₅H₂₆N

SMILES

CCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C15H26N/c1-4-5-6-10-13-16(2,3)14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3/q+1

InChIKey

OCRHPUCRAFNCMN-UHFFFAOYSA-N

Compound name

benzyl-hexyl-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 220.20653 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.21381	154.1
[M+Na]+	243.19575	158.9
[M-H]-	219.19925	158.5
[M+NH4]+	238.24035	173.1
[M+K]+	259.16969	151.2
[M+H-H2O]+	203.20379	150.4
[M+HCOO]-	265.20473	177.2
[M+CH3COO]-	279.22038	191.1
[M+Na-2H]-	241.18120	162.8
[M]+	220.20598	155.3
[M]-	220.20708	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe