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 168.9
[M+Na]+ 280.22469 172.4
[M-H]- 256.22819 169.5
[M+NH4]+ 275.26929 186.6
[M+K]+ 296.19863 172.4
[M+H-H2O]+ 240.23273 162.9
[M+HCOO]- 302.23367 189.5
[M+CH3COO]- 316.24932 206.2
[M+Na-2H]- 278.21014 170.2
[M]+ 257.23492 175.2
[M]- 257.23602 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.