CID 6912977

Triethanolammonium 1-oxo-9-octadecenylaminoethyl sodium sulfosuccinate (z)

Structural Information

Molecular Formula
C24H43NO8S
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOC(=O)C(CC(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H43NO8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-18-19-33-24(29)21(20-23(27)28)34(30,31)32/h9-10,21H,2-8,11-20H2,1H3,(H,25,26)(H,27,28)(H,30,31,32)/b10-9-
InChIKey
FAUIAYWUQDKCKF-KTKRTIGZSA-N
Compound name
4-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

498
Patents

505.27094 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.27822 226.4
[M+Na]+ 528.26016 231.5
[M-H]- 504.26366 223.5
[M+NH4]+ 523.30476 230.7
[M+K]+ 544.23410 228.7
[M+H-H2O]+ 488.26820 224.4
[M+HCOO]- 550.26914 229.1
[M+CH3COO]- 564.28479 237.1
[M+Na-2H]- 526.24561 213.6
[M]+ 505.27039 225.2
[M]- 505.27149 225.2
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.