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 159.6
[M+Na]+ 252.19340 163.9
[M-H]- 228.19690 160.5
[M+NH4]+ 247.23800 178.4
[M+K]+ 268.16734 164.4
[M+H-H2O]+ 212.20144 153.9
[M+HCOO]- 274.20238 180.9
[M+CH3COO]- 288.21803 200.2
[M+Na-2H]- 250.17885 162.0
[M]+ 229.20363 165.1
[M]- 229.20473 165.1
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.