CID 57525087

Ec 426-210-6

Structural Information

Molecular Formula
C27H56NO2
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC[N+](C)(CCO)CCO
InChI
InChI=1S/C27H56NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(2,24-26-29)25-27-30/h10-11,29-30H,3-9,12-27H2,1-2H3/q+1/b11-10-
InChIKey
UOGWZICGIMLYAE-KHPPLWFESA-N
Compound name
[(Z)-docos-13-enyl]-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

552
Patents

426.4311 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.43838 220.6
[M+Na]+ 449.42032 239.9
[M-H]- 425.42382 221.7
[M+NH4]+ 444.46492 229.5
[M+K]+ 465.39426 207.0
[M+H-H2O]+ 409.42836 215.4
[M+HCOO]- 471.42930 248.2
[M+CH3COO]- 485.44495 228.3
[M+Na-2H]- 447.40577 219.7
[M]+ 426.43055 232.9
[M]- 426.43165 232.9
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