CID 2998

Nonivamide

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
InChIKey
RGOVYLWUIBMPGK-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

100
References

11580
Patents

293.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 173.2
[M+Na]+ 316.18832 177.6
[M-H]- 292.19182 174.5
[M+NH4]+ 311.23292 187.9
[M+K]+ 332.16226 174.3
[M+H-H2O]+ 276.19636 165.8
[M+HCOO]- 338.19730 194.4
[M+CH3COO]- 352.21295 205.5
[M+Na-2H]- 314.17377 174.2
[M]+ 293.19855 177.0
[M]- 293.19965 177.0
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