CID 104355

52900-12-6

Structural Information

Molecular Formula
C30H60NO4
SMILES
CCCCCCCCCCCCCC(=O)[N+](CCO)(CCO)C(=O)CCCCCCCCCCC
InChI
InChI=1S/C30H60NO4/c1-3-5-7-9-11-13-14-16-18-20-22-24-30(35)31(25-27-32,26-28-33)29(34)23-21-19-17-15-12-10-8-6-4-2/h32-33H,3-28H2,1-2H3/q+1
InChIKey
KYUQDCKNJYWYEE-UHFFFAOYSA-N
Compound name
dodecanoyl-bis(2-hydroxyethyl)-tetradecanoylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

498.45224 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.45952 237.6
[M+Na]+ 521.44146 211.6
[M+NH4]+ 516.48606 208.5
[M+K]+ 537.41540 205.5
[M-H]- 497.44496 195.9
[M+Na-2H]- 519.42691 211.0
[M]+ 498.45169 204.5
[M]- 498.45279 204.5
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.