CID 3051023

67239-06-9

Structural Information

Molecular Formula
C16H31NO2
SMILES
CCCC(C1CCCC1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C16H31NO2/c1-4-9-15(14-10-7-8-11-14)16(18)19-13-12-17(5-2)6-3/h14-15H,4-13H2,1-3H3
InChIKey
KTZMMCJLMKKHDN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopentylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.23547 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.242746 173.5
[M+Na]+ 292.224688 174.7
[M-H]- 268.228194 176.4
[M+NH4]+ 287.269293 191.5
[M+K]+ 308.198628 174.3
[M+H-H2O]+ 252.232730 166.2
[M+HCOO]- 314.233671 193.5
[M+CH3COO]- 328.249321 205.7
[M+Na-2H]- 290.210136 170.6
[M]+ 269.23492142 174.9
[M]- 269.23601858 174.9
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.