CID 3042719

Nonyl (diethylamino)oxoacetate

Structural Information

Molecular Formula
C15H29NO3
SMILES
CCCCCCCCCOC(=O)C(=O)N(CC)CC
InChI
InChI=1S/C15H29NO3/c1-4-7-8-9-10-11-12-13-19-15(18)14(17)16(5-2)6-3/h4-13H2,1-3H3
InChIKey
ZXCUJUPZAWBDTD-UHFFFAOYSA-N
Compound name
nonyl 2-(diethylamino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.21475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.22203 169.6
[M+Na]+ 294.20397 176.3
[M+NH4]+ 289.24857 174.7
[M+K]+ 310.17791 171.2
[M-H]- 270.20747 167.9
[M+Na-2H]- 292.18942 170.0
[M]+ 271.21420 169.6
[M]- 271.21530 169.6
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.