CID 21149747

Allylhexadecylbis(2-hydroxyethyl)ammonium chloride

Structural Information

Molecular Formula
C23H48NO2
SMILES
CCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C
InChI
InChI=1S/C23H48NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(18-4-2,20-22-25)21-23-26/h4,25-26H,2-3,5-23H2,1H3/q+1
InChIKey
MYRXAWYCTZBDLQ-UHFFFAOYSA-N
Compound name
hexadecyl-bis(2-hydroxyethyl)-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.3685 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.375776 202.8
[M+Na]+ 393.357718 202.4
[M-H]- 369.361224 199.0
[M+NH4]+ 388.402323 214.4
[M+K]+ 409.331658 191.8
[M+H-H2O]+ 353.365760 198.5
[M+HCOO]- 415.366701 234.4
[M+CH3COO]- 429.382351 217.1
[M+Na-2H]- 391.343166 204.0
[M]+ 370.36795142 207.8
[M]- 370.36904858 207.8
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.