CID 45248

3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H23NO3/c1-13-7-4-5-10-17(13)11-6-12-20-16(19)14-8-2-3-9-15(14)18/h2-3,8-9,13,18H,4-7,10-12H2,1H3
InChIKey
PISUWIAFYNMOIB-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.175076 166.7
[M+Na]+ 300.157018 170.6
[M-H]- 276.160524 169.5
[M+NH4]+ 295.201623 180.4
[M+K]+ 316.130958 167.5
[M+H-H2O]+ 260.165060 158.3
[M+HCOO]- 322.166001 183.1
[M+CH3COO]- 336.181651 196.9
[M+Na-2H]- 298.142466 167.7
[M]+ 277.16725142 164.5
[M]- 277.16834858 164.5
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.