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]+ 284.258406 178.1
[M+Na]+ 306.240348 178.9
[M-H]- 282.243854 180.8
[M+NH4]+ 301.284953 195.6
[M+K]+ 322.214288 178.3
[M+H-H2O]+ 266.248390 170.6
[M+HCOO]- 328.249331 197.8
[M+CH3COO]- 342.264981 208.7
[M+Na-2H]- 304.225796 174.7
[M]+ 283.25058142 179.9
[M]- 283.25167858 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.