CID 199106

Sch 1204

Structural Information

Molecular Formula
C18H37NO3
SMILES
CCCCCCCCOC(C)(C)C(=O)OCCN(CC)CC
InChI
InChI=1S/C18H37NO3/c1-6-9-10-11-12-13-15-22-18(4,5)17(20)21-16-14-19(7-2)8-3/h6-16H2,1-5H3
InChIKey
XXSKXJHCCCZXIT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-methyl-2-octoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.27734 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.28462 185.6
[M+Na]+ 338.26656 187.7
[M-H]- 314.27006 185.5
[M+NH4]+ 333.31116 200.8
[M+K]+ 354.24050 187.5
[M+H-H2O]+ 298.27460 178.8
[M+HCOO]- 360.27554 205.4
[M+CH3COO]- 374.29119 217.0
[M+Na-2H]- 336.25201 185.5
[M]+ 315.27679 194.5
[M]- 315.27789 194.5
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.