CID 48269

Acetic acid, p-hydroxyphenyl-, 3-(2-methylpiperidino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC1CCCCN1CCCOC(=O)CC2=CC=C(C=C2)O
InChI
InChI=1S/C17H25NO3/c1-14-5-2-3-10-18(14)11-4-12-21-17(20)13-15-6-8-16(19)9-7-15/h6-9,14,19H,2-5,10-13H2,1H3
InChIKey
VXVUZRFOIDPUSS-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2-(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.190716 171.2
[M+Na]+ 314.172658 174.7
[M-H]- 290.176164 173.8
[M+NH4]+ 309.217263 184.3
[M+K]+ 330.146598 171.3
[M+H-H2O]+ 274.180700 162.6
[M+HCOO]- 336.181641 187.2
[M+CH3COO]- 350.197291 199.9
[M+Na-2H]- 312.158106 171.6
[M]+ 291.18289142 169.4
[M]- 291.18398858 169.4
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.