CID 3024758

97158-31-1

Structural Information

Molecular Formula
C38H76NO4
SMILES
CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C38H76NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(40)42-35-33-39(3,4)34-36-43-38(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-36H2,1-4H3/q+1
InChIKey
RBHTWQXKDSIXSJ-UHFFFAOYSA-N
Compound name
bis(2-hexadecanoyloxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1813
Patents

610.57745 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.58473 272.5
[M+Na]+ 633.56667 277.9
[M-H]- 609.57017 261.1
[M+NH4]+ 628.61127 276.2
[M+K]+ 649.54061 278.6
[M+H-H2O]+ 593.57471 266.4
[M+HCOO]- 655.57565 281.0
[M+CH3COO]- 669.59130 267.8
[M+Na-2H]- 631.55212 255.4
[M]+ 610.57690 271.7
[M]- 610.57800 271.7
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

patents stripe