CID 48111

66827-76-7

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C17H25NO3/c1-14-8-5-6-11-18(14)12-7-13-21-17(19)15-9-3-4-10-16(15)20-2/h3-4,9-10,14H,5-8,11-13H2,1-2H3
InChIKey
OLUZKCGWWCFOOG-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 170.8
[M+Na]+ 314.172658 174.7
[M-H]- 290.176164 174.8
[M+NH4]+ 309.217263 184.6
[M+K]+ 330.146598 172.2
[M+H-H2O]+ 274.180700 161.9
[M+HCOO]- 336.181641 188.3
[M+CH3COO]- 350.197291 202.4
[M+Na-2H]- 312.158106 171.7
[M]+ 291.18289142 170.8
[M]- 291.18398858 170.8
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.