CID 3060941

C 2024

Structural Information

Molecular Formula
C20H33NO2
SMILES
CCC(C)C(C1=CC=CC=C1C)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C20H33NO2/c1-6-16(4)19(18-13-10-9-12-17(18)5)20(22)23-15-11-14-21(7-2)8-3/h9-10,12-13,16,19H,6-8,11,14-15H2,1-5H3
InChIKey
NEKPQBPYJZRPBN-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 3-methyl-2-(2-methylphenyl)pentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

319.25113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.25841 182.6
[M+Na]+ 342.24035 191.7
[M+NH4]+ 337.28495 189.0
[M+K]+ 358.21429 185.5
[M-H]- 318.24385 184.3
[M+Na-2H]- 340.22580 186.1
[M]+ 319.25058 184.2
[M]- 319.25168 184.2
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.