CID 3060697

78219-64-4

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCCCN1CCCCC1CCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H29NO2/c1-2-3-14-20-15-8-7-12-18(20)13-9-16-22-19(21)17-10-5-4-6-11-17/h4-6,10-11,18H,2-3,7-9,12-16H2,1H3
InChIKey
NMAMVYQTMMGXQP-UHFFFAOYSA-N
Compound name
3-(1-butylpiperidin-2-yl)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.227096 177.1
[M+Na]+ 326.209038 179.3
[M-H]- 302.212544 180.3
[M+NH4]+ 321.253643 190.2
[M+K]+ 342.182978 175.6
[M+H-H2O]+ 286.217080 167.7
[M+HCOO]- 348.218021 193.7
[M+CH3COO]- 362.233671 205.1
[M+Na-2H]- 324.194486 177.5
[M]+ 303.21927142 175.9
[M]- 303.22036858 175.9
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.