CID 60247

108369-32-0

Structural Information

Molecular Formula
C18H27NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C18H27NO5/c1-21-15-12-14(13-16(22-2)17(15)23-3)18(20)24-11-7-10-19-8-5-4-6-9-19/h12-13H,4-11H2,1-3H3
InChIKey
RCVQNXNVWLRDFF-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.196206 180.4
[M+Na]+ 360.178148 184.4
[M-H]- 336.181654 184.5
[M+NH4]+ 355.222753 192.3
[M+K]+ 376.152088 183.0
[M+H-H2O]+ 320.186190 171.0
[M+HCOO]- 382.187131 197.9
[M+CH3COO]- 396.202781 210.8
[M+Na-2H]- 358.163596 180.3
[M]+ 337.18838142 184.0
[M]- 337.18947858 184.0
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.