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
3
Annotation Hits

0
References

1124
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 203.1
[M+Na]+ 393.35772 202.8
[M-H]- 369.36122 199.3
[M+NH4]+ 388.40232 215.0
[M+K]+ 409.33166 192.2
[M+H-H2O]+ 353.36576 198.8
[M+HCOO]- 415.36670 235.0
[M+CH3COO]- 429.38235 216.5
[M+Na-2H]- 391.34317 204.3
[M]+ 370.36795 208.0
[M]- 370.36905 208.0
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