CID 480895

Dodecyldimethyl(undecyloxymethyl)amine, chloride

Structural Information

Molecular Formula
C26H56NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COCCCCCCCCCCC
InChI
InChI=1S/C26H56NO/c1-5-7-9-11-13-15-16-18-20-22-24-27(3,4)26-28-25-23-21-19-17-14-12-10-8-6-2/h5-26H2,1-4H3/q+1
InChIKey
VCRVQMPSKCMRFI-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(undecoxymethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.4362 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.44348 215.3
[M+Na]+ 421.42542 214.3
[M-H]- 397.42892 213.7
[M+NH4]+ 416.47002 232.6
[M+K]+ 437.39936 204.9
[M+H-H2O]+ 381.43346 209.9
[M+HCOO]- 443.43440 250.6
[M+CH3COO]- 457.45005 230.8
[M+Na-2H]- 419.41087 215.6
[M]+ 398.43565 224.6
[M]- 398.43675 224.6
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.