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 207.5
[M+Na]+ 407.37338 206.7
[M-H]- 383.37688 203.5
[M+NH4]+ 402.41798 218.6
[M+K]+ 423.34732 195.9
[M+H-H2O]+ 367.38142 203.0
[M+HCOO]- 429.38236 238.3
[M+CH3COO]- 443.39801 219.4
[M+Na-2H]- 405.35883 208.2
[M]+ 384.38361 212.8
[M]- 384.38471 212.8
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.