CID 3051021

67239-05-8

Structural Information

Molecular Formula
C17H33NO2
SMILES
CCCCC(C1CCCC1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C17H33NO2/c1-4-7-12-16(15-10-8-9-11-15)17(19)20-14-13-18(5-2)6-3/h15-16H,4-14H2,1-3H3
InChIKey
DOHRSFWQWOVPPQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopentylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.25841 178.1
[M+Na]+ 306.24035 178.9
[M-H]- 282.24385 180.8
[M+NH4]+ 301.28495 195.6
[M+K]+ 322.21429 178.3
[M+H-H2O]+ 266.24839 170.6
[M+HCOO]- 328.24933 197.8
[M+CH3COO]- 342.26498 208.7
[M+Na-2H]- 304.22580 174.7
[M]+ 283.25058 179.9
[M]- 283.25168 179.9
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.