CID 3024223

Allyltributylammonium chloride

Structural Information

Molecular Formula
C15H32N
SMILES
CCCC[N+](CCCC)(CCCC)CC=C
InChI
InChI=1S/C15H32N/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3/q+1
InChIKey
FVTLZJPHMIVATA-UHFFFAOYSA-N
Compound name
tributyl(prop-2-enyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

226.25348 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.260756 159.7
[M+Na]+ 249.242698 163.7
[M-H]- 225.246204 160.4
[M+NH4]+ 244.287303 178.8
[M+K]+ 265.216638 156.2
[M+H-H2O]+ 209.250740 157.0
[M+HCOO]- 271.251681 181.4
[M+CH3COO]- 285.267331 195.1
[M+Na-2H]- 247.228146 165.8
[M]+ 226.25293142 162.7
[M]- 226.25402858 162.7
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

patents stripe