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]+ 270.24275 173.5
[M+Na]+ 292.22469 174.7
[M-H]- 268.22819 176.4
[M+NH4]+ 287.26929 191.5
[M+K]+ 308.19863 174.3
[M+H-H2O]+ 252.23273 166.2
[M+HCOO]- 314.23367 193.5
[M+CH3COO]- 328.24932 205.7
[M+Na-2H]- 290.21014 170.6
[M]+ 269.23492 174.9
[M]- 269.23602 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.