CID 1548943

Capsaicin

Structural Information

Molecular Formula
C18H27NO3
SMILES
CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChIKey
YKPUWZUDDOIDPM-SOFGYWHQSA-N
Compound name
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

11789
References

80806
Patents

305.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 176.9
[M+Na]+ 328.18832 186.0
[M+NH4]+ 323.23292 182.2
[M+K]+ 344.16226 179.8
[M-H]- 304.19182 177.3
[M+Na-2H]- 326.17377 179.6
[M]+ 305.19855 178.0
[M]- 305.19965 178.0
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