CID 5744389

Win 2259

Structural Information

Molecular Formula
C15H22N2O3
SMILES
C1CCN(CC1)CCCOC(=O)C2=C(C=C(C=C2)N)O
InChI
InChI=1S/C15H22N2O3/c16-12-5-6-13(14(18)11-12)15(19)20-10-4-9-17-7-2-1-3-8-17/h5-6,11,18H,1-4,7-10,16H2
InChIKey
IEZGOQOQLXAHAE-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 166.2
[M+Na]+ 301.15228 169.6
[M-H]- 277.15578 168.5
[M+NH4]+ 296.19688 179.1
[M+K]+ 317.12622 166.3
[M+H-H2O]+ 261.16032 157.6
[M+HCOO]- 323.16126 183.3
[M+CH3COO]- 337.17691 198.5
[M+Na-2H]- 299.13773 167.1
[M]+ 278.16251 161.9
[M]- 278.16361 161.9
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

patents stripe