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]+ 304.227096 177.4
[M+Na]+ 326.209038 178.0
[M-H]- 302.212544 180.3
[M+NH4]+ 321.253643 189.9
[M+K]+ 342.182978 175.4
[M+H-H2O]+ 286.217080 168.1
[M+HCOO]- 348.218021 192.0
[M+CH3COO]- 362.233671 205.7
[M+Na-2H]- 324.194486 176.1
[M]+ 303.21927142 174.5
[M]- 303.22036858 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.