CID 20837966

Ethylbis(2-hydroxyethyl)oleylammonium ethyl sulphate

Structural Information

Molecular Formula
C24H50NO2
SMILES
CCCCCCCC/C=C\CCCCCCCC[N+](CC)(CCO)CCO
InChI
InChI=1S/C24H50NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2,21-23-26)22-24-27/h11-12,26-27H,3-10,13-24H2,1-2H3/q+1/b12-11-
InChIKey
GINDXWQLUQONOR-QXMHVHEDSA-N
Compound name
ethyl-bis(2-hydroxyethyl)-[(Z)-octadec-9-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.38416 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.39144 204.8
[M+Na]+ 407.37338 212.0
[M+NH4]+ 402.41798 210.1
[M+K]+ 423.34732 204.0
[M-H]- 383.37688 204.4
[M+Na-2H]- 405.35883 204.5
[M]+ 384.38361 205.7
[M]- 384.38471 205.7
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.