CID 32507

24589-39-7

Structural Information

Molecular Formula
C15H31NO2
SMILES
CCCCC(C)(CC)C(=O)OCCN(CC)CC
InChI
InChI=1S/C15H31NO2/c1-6-10-11-15(5,7-2)14(17)18-13-12-16(8-3)9-4/h6-13H2,1-5H3
InChIKey
IUYHLKUWPQSKGF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-ethyl-2-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.23547 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.242746 168.9
[M+Na]+ 280.224688 172.4
[M-H]- 256.228194 169.5
[M+NH4]+ 275.269293 186.6
[M+K]+ 296.198628 172.4
[M+H-H2O]+ 240.232730 162.9
[M+HCOO]- 302.233671 189.5
[M+CH3COO]- 316.249321 206.2
[M+Na-2H]- 278.210136 170.2
[M]+ 257.23492142 175.2
[M]- 257.23601858 175.2
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.