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
4
Annotation Hits

29
References

4458
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 173.7
[M+Na]+ 316.18832 177.8
[M-H]- 292.19182 175.1
[M+NH4]+ 311.23292 188.4
[M+K]+ 332.16226 175.2
[M+H-H2O]+ 276.19636 166.5
[M+HCOO]- 338.19730 193.9
[M+CH3COO]- 352.21295 206.4
[M+Na-2H]- 314.17377 173.5
[M]+ 293.19855 176.9
[M]- 293.19965 176.9
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