CID 480892

Dodecyldimethyl(pentyloxymethyl)amine, chloride

Structural Information

Molecular Formula
C20H44NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COCCCCC
InChI
InChI=1S/C20H44NO/c1-5-7-9-10-11-12-13-14-15-16-18-21(3,4)20-22-19-17-8-6-2/h5-20H2,1-4H3/q+1
InChIKey
GMIQACNKPSHCHL-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(pentoxymethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.3423 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.34958 188.2
[M+Na]+ 337.33152 189.7
[M-H]- 313.33502 187.8
[M+NH4]+ 332.37612 203.7
[M+K]+ 353.30546 181.8
[M+H-H2O]+ 297.33956 184.0
[M+HCOO]- 359.34050 208.1
[M+CH3COO]- 373.35615 213.0
[M+Na-2H]- 335.31697 191.6
[M]+ 314.34175 195.2
[M]- 314.34285 195.2
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.