CID 3042718

Octyl (diethylamino)oxoacetate

Structural Information

Molecular Formula
C14H27NO3
SMILES
CCCCCCCCOC(=O)C(=O)N(CC)CC
InChI
InChI=1S/C14H27NO3/c1-4-7-8-9-10-11-12-18-14(17)13(16)15(5-2)6-3/h4-12H2,1-3H3
InChIKey
XJSRRFWDVFYAIG-UHFFFAOYSA-N
Compound name
octyl 2-(diethylamino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.206376 167.1
[M+Na]+ 280.188318 170.7
[M-H]- 256.191824 167.7
[M+NH4]+ 275.232923 184.6
[M+K]+ 296.162258 170.9
[M+H-H2O]+ 240.196360 160.5
[M+HCOO]- 302.197301 189.1
[M+CH3COO]- 316.212951 203.4
[M+Na-2H]- 278.173766 166.9
[M]+ 257.19855142 173.4
[M]- 257.19964858 173.4
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.