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]+ 272.222026 171.8
[M+Na]+ 294.203968 174.9
[M-H]- 270.207474 172.1
[M+NH4]+ 289.248573 188.7
[M+K]+ 310.177908 174.9
[M+H-H2O]+ 254.212010 165.0
[M+HCOO]- 316.212951 193.4
[M+CH3COO]- 330.228601 206.4
[M+Na-2H]- 292.189416 171.1
[M]+ 271.21420142 178.4
[M]- 271.21529858 178.4
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.