CID 24833771

Win 2735

Structural Information

Molecular Formula
C16H24N2O3
SMILES
COC1=C(C=CC(=C1)N)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C16H24N2O3/c1-20-15-12-13(17)6-7-14(15)16(19)21-11-5-10-18-8-3-2-4-9-18/h6-7,12H,2-5,8-11,17H2,1H3
InChIKey
RQCHCONNXXNARA-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-amino-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 170.4
[M+Na]+ 315.167898 173.8
[M-H]- 291.171404 173.9
[M+NH4]+ 310.212503 183.5
[M+K]+ 331.141838 171.2
[M+H-H2O]+ 275.175940 161.3
[M+HCOO]- 337.176881 188.6
[M+CH3COO]- 351.192531 203.9
[M+Na-2H]- 313.153346 171.2
[M]+ 292.17813142 168.3
[M]- 292.17922858 168.3
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.