CID 3050427

Pribecaine

Structural Information

Molecular Formula
C16H23NO3
SMILES
COC1=CC=CC(=C1)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C16H23NO3/c1-19-15-8-5-7-14(13-15)16(18)20-12-6-11-17-9-3-2-4-10-17/h5,7-8,13H,2-4,6,9-12H2,1H3
InChIKey
MDEHCYRQFACAGY-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

277.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.5
[M+Na]+ 300.15702 169.9
[M-H]- 276.16052 170.3
[M+NH4]+ 295.20162 180.6
[M+K]+ 316.13096 167.6
[M+H-H2O]+ 260.16506 157.5
[M+HCOO]- 322.16600 184.4
[M+CH3COO]- 336.18165 198.2
[M+Na-2H]- 298.14247 168.6
[M]+ 277.16725 165.7
[M]- 277.16835 165.7
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.