CID 212863

25217-59-8

Structural Information

Molecular Formula
C13H27NO2
SMILES
CCCC(C)(C)C(=O)OCCN(CC)CC
InChI
InChI=1S/C13H27NO2/c1-6-9-13(4,5)12(15)16-11-10-14(7-2)8-3/h6-11H2,1-5H3
InChIKey
DCKMTQMPLSZUSA-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,2-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.20418 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.21146 158.3
[M+Na]+ 252.19340 165.9
[M+NH4]+ 247.23800 164.5
[M+K]+ 268.16734 161.2
[M-H]- 228.19690 157.1
[M+Na-2H]- 250.17885 160.1
[M]+ 229.20363 158.8
[M]- 229.20473 158.8
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.