CID 6912877

18448-65-2

Structural Information

Molecular Formula
C23H48NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC[N+](C)(CCO)CCO
InChI
InChI=1S/C23H48NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26/h10-11,25-26H,3-9,12-23H2,1-2H3/q+1/b11-10-
InChIKey
SIIMROTZKDKRFD-KHPPLWFESA-N
Compound name
bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

953
Patents

370.3685 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.37578 200.4
[M+Na]+ 393.35772 207.8
[M+NH4]+ 388.40232 205.9
[M+K]+ 409.33166 200.0
[M-H]- 369.36122 200.1
[M+Na-2H]- 391.34317 200.4
[M]+ 370.36795 201.4
[M]- 370.36905 201.4
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

patents stripe