CID 165361774

Dtxsid901343347

Structural Information

Molecular Formula
C24H47NO4
SMILES
CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)OCCN(C)C
InChI
InChI=1S/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(21-23(26)27)24(28)29-20-19-25(2)3/h22H,4-21H2,1-3H3,(H,26,27)
InChIKey
YDMMFVKXVDDORK-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethoxycarbonyl]nonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

413.3505 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.35778 215.3
[M+Na]+ 436.33972 213.7
[M-H]- 412.34322 213.9
[M+NH4]+ 431.38432 224.6
[M+K]+ 452.31366 211.6
[M+H-H2O]+ 396.34776 206.8
[M+HCOO]- 458.34870 223.8
[M+CH3COO]- 472.36435 234.3
[M+Na-2H]- 434.32517 208.2
[M]+ 413.34995 219.4
[M]- 413.35105 219.4
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.