CID 3064434

N-vanillylcyclopentanepropionamide

Structural Information

Molecular Formula
C16H23NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCC2CCCC2)O
InChI
InChI=1S/C16H23NO3/c1-20-15-10-13(6-8-14(15)18)11-17-16(19)9-7-12-4-2-3-5-12/h6,8,10,12,18H,2-5,7,9,11H2,1H3,(H,17,19)
InChIKey
BZWGQWPNQWNJMA-UHFFFAOYSA-N
Compound name
3-cyclopentyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
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 167.5
[M+Na]+ 300.15702 176.3
[M+NH4]+ 295.20162 174.4
[M+K]+ 316.13096 172.2
[M-H]- 276.16052 170.0
[M+Na-2H]- 298.14247 171.7
[M]+ 277.16725 169.1
[M]- 277.16835 169.1
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.