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 171.8
[M+Na]+ 294.20397 174.9
[M-H]- 270.20747 172.1
[M+NH4]+ 289.24857 188.7
[M+K]+ 310.17791 174.9
[M+H-H2O]+ 254.21201 165.0
[M+HCOO]- 316.21295 193.4
[M+CH3COO]- 330.22860 206.4
[M+Na-2H]- 292.18942 171.1
[M]+ 271.21420 178.4
[M]- 271.21530 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.