CID 45255

63916-93-8

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H29NO2/c1-15(2)17-8-10-18(11-9-17)19(21)22-14-6-13-20-12-5-4-7-16(20)3/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKey
TZWVMGRCJXLVLO-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.7
[M+Na]+ 326.20904 179.6
[M-H]- 302.21254 180.4
[M+NH4]+ 321.25364 190.0
[M+K]+ 342.18298 176.5
[M+H-H2O]+ 286.21708 167.8
[M+HCOO]- 348.21802 192.3
[M+CH3COO]- 362.23367 207.2
[M+Na-2H]- 324.19449 175.3
[M]+ 303.21927 175.3
[M]- 303.22037 175.3
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.