CID 3060947

78372-16-4

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C19H29NO2/c1-3-16(2)18(17-10-6-4-7-11-17)19(21)22-15-14-20-12-8-5-9-13-20/h4,6-7,10-11,16,18H,3,5,8-9,12-15H2,1-2H3
InChIKey
KUTJFHMGTMDEHG-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 3-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 177.4
[M+Na]+ 326.20904 178.0
[M-H]- 302.21254 180.3
[M+NH4]+ 321.25364 189.9
[M+K]+ 342.18298 175.4
[M+H-H2O]+ 286.21708 168.1
[M+HCOO]- 348.21802 192.0
[M+CH3COO]- 362.23367 205.7
[M+Na-2H]- 324.19449 176.1
[M]+ 303.21927 174.5
[M]- 303.22037 174.5
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.