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
6
Annotation Hits

220
References

6563
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 178.3
[M+Na]+ 330.20397 182.0
[M-H]- 306.20747 179.5
[M+NH4]+ 325.24857 192.4
[M+K]+ 346.17791 179.0
[M+H-H2O]+ 290.21201 170.8
[M+HCOO]- 352.21295 198.1
[M+CH3COO]- 366.22860 209.4
[M+Na-2H]- 328.18942 177.5
[M]+ 307.21420 181.8
[M]- 307.21530 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.