CID 480889

(butoxymethyl)dodecyldimethylamine, chloride

Structural Information

Molecular Formula
C19H42NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COCCCC
InChI
InChI=1S/C19H42NO/c1-5-7-9-10-11-12-13-14-15-16-17-20(3,4)19-21-18-8-6-2/h5-19H2,1-4H3/q+1
InChIKey
HENBMZIZIRAYKB-UHFFFAOYSA-N
Compound name
butoxymethyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.32663 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.33391 183.6
[M+Na]+ 323.31585 185.5
[M-H]- 299.31935 183.4
[M+NH4]+ 318.36045 199.6
[M+K]+ 339.28979 177.9
[M+H-H2O]+ 283.32389 179.6
[M+HCOO]- 345.32483 203.9
[M+CH3COO]- 359.34048 210.0
[M+Na-2H]- 321.30130 187.5
[M]+ 300.32608 190.2
[M]- 300.32718 190.2
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.