CID 47012

3-(2-methylpiperidin-1-yl)propyl 4-propoxybenzoate

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCOC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C
InChI
InChI=1S/C19H29NO3/c1-3-14-22-18-10-8-17(9-11-18)19(21)23-15-6-13-20-12-5-4-7-16(20)2/h8-11,16H,3-7,12-15H2,1-2H3
InChIKey
QSJRZMPYHHJWKX-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 179.9
[M+Na]+ 342.20397 182.9
[M-H]- 318.20747 183.4
[M+NH4]+ 337.24857 192.5
[M+K]+ 358.17791 179.9
[M+H-H2O]+ 302.21201 170.5
[M+HCOO]- 364.21295 196.7
[M+CH3COO]- 378.22860 208.4
[M+Na-2H]- 340.18942 179.6
[M]+ 319.21420 180.5
[M]- 319.21530 180.5
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.