CID 3051415

67465-24-1

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC1CCCCN1CCCOC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C16H23NO4/c1-12-5-2-3-8-17(12)9-4-10-21-16(20)14-7-6-13(18)11-15(14)19/h6-7,11-12,18-19H,2-5,8-10H2,1H3
InChIKey
XVWDSSXXHDAYSF-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2,4-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 170.2
[M+Na]+ 316.15194 180.5
[M+NH4]+ 311.19654 176.1
[M+K]+ 332.12588 175.3
[M-H]- 292.15544 171.5
[M+Na-2H]- 314.13739 174.0
[M]+ 293.16217 171.7
[M]- 293.16327 171.7
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.