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]+ 258.24275 167.0
[M+Na]+ 280.22469 174.2
[M+NH4]+ 275.26929 172.9
[M+K]+ 296.19863 169.1
[M-H]- 256.22819 165.7
[M+Na-2H]- 278.21014 168.3
[M]+ 257.23492 167.4
[M]- 257.23602 167.4
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.