CID 45247

63916-85-8

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C16H23NO3/c1-13-6-2-3-9-17(13)10-5-11-20-16(19)14-7-4-8-15(18)12-14/h4,7-8,12-13,18H,2-3,5-6,9-11H2,1H3
InChIKey
JKEQJSXVKIBVBU-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 3-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.7
[M+Na]+ 300.15702 170.6
[M-H]- 276.16052 169.5
[M+NH4]+ 295.20162 180.4
[M+K]+ 316.13096 167.5
[M+H-H2O]+ 260.16506 158.3
[M+HCOO]- 322.16600 183.1
[M+CH3COO]- 336.18165 196.9
[M+Na-2H]- 298.14247 167.7
[M]+ 277.16725 164.5
[M]- 277.16835 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.