CID 15136169

160653-08-7

Structural Information

Molecular Formula
C26H56NO
SMILES
CCCCCCCCCCCCCCCC[N+](CCCC)(CCCC)CCO
InChI
InChI=1S/C26H56NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-24-27(25-26-28,22-8-5-2)23-9-6-3/h28H,4-26H2,1-3H3/q+1
InChIKey
WSDFMMLKYGPTBR-UHFFFAOYSA-N
Compound name
dibutyl-hexadecyl-(2-hydroxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

398.4362 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.44348 214.9
[M+Na]+ 421.42542 213.4
[M-H]- 397.42892 211.8
[M+NH4]+ 416.47002 229.9
[M+K]+ 437.39936 203.1
[M+H-H2O]+ 381.43346 209.8
[M+HCOO]- 443.43440 248.4
[M+CH3COO]- 457.45005 228.0
[M+Na-2H]- 419.41087 214.8
[M]+ 398.43565 222.2
[M]- 398.43675 222.2
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.