CID 480919

(decyloxymethyl)dimethyloctylamine, chloride

Structural Information

Molecular Formula
C21H46NO
SMILES
CCCCCCCCCCOC[N+](C)(C)CCCCCCCC
InChI
InChI=1S/C21H46NO/c1-5-7-9-11-13-14-16-18-20-23-21-22(3,4)19-17-15-12-10-8-6-2/h5-21H2,1-4H3/q+1
InChIKey
PHCULDKKNGSNJS-UHFFFAOYSA-N
Compound name
decoxymethyl-dimethyl-octylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.35794 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.36522 192.7
[M+Na]+ 351.34716 193.8
[M-H]- 327.35066 192.1
[M+NH4]+ 346.39176 207.7
[M+K]+ 367.32110 185.7
[M+H-H2O]+ 311.35520 188.4
[M+HCOO]- 373.35614 212.4
[M+CH3COO]- 387.37179 216.0
[M+Na-2H]- 349.33261 195.6
[M]+ 328.35739 200.1
[M]- 328.35849 200.1
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.