CID 168836

Nordihydrocapsaicin

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)
InChIKey
VQEONGKQWIFHMN-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

4257
Patents

293.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 173.2
[M+Na]+ 316.18832 182.4
[M+NH4]+ 311.23292 179.0
[M+K]+ 332.16226 176.6
[M-H]- 292.19182 173.9
[M+Na-2H]- 314.17377 176.3
[M]+ 293.19855 174.4
[M]- 293.19965 174.4
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