CID 3022073

Brn 3338262

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C13H19NO3/c1-3-4-5-13(16)14-9-10-6-7-11(15)12(8-10)17-2/h6-8,15H,3-5,9H2,1-2H3,(H,14,16)
InChIKey
FIBVYIHLWQDQBL-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

237.13649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.3
[M+Na]+ 260.12571 165.7
[M+NH4]+ 255.17031 161.9
[M+K]+ 276.09965 160.0
[M-H]- 236.12921 156.4
[M+Na-2H]- 258.11116 159.8
[M]+ 237.13594 156.8
[M]- 237.13704 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe