CID 107982

Dihydrocapsaicin

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
InChIKey
XJQPQKLURWNAAH-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

219
References

6435
Patents

307.21475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 177.7
[M+Na]+ 330.20397 186.6
[M+NH4]+ 325.24857 183.2
[M+K]+ 346.17791 180.6
[M-H]- 306.20747 178.3
[M+Na-2H]- 328.18942 180.4
[M]+ 307.21420 178.8
[M]- 307.21530 178.8
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