CID 6442577

Norcapsaicin

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC(C)/C=C/CCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+
InChIKey
UTNZMGHHFHHIAY-FNORWQNLSA-N
Compound name
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

278
Patents

291.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 172.5
[M+Na]+ 314.17266 177.0
[M-H]- 290.17616 174.0
[M+NH4]+ 309.21726 187.2
[M+K]+ 330.14660 173.7
[M+H-H2O]+ 274.18070 165.4
[M+HCOO]- 336.18164 192.9
[M+CH3COO]- 350.19729 204.9
[M+Na-2H]- 312.15811 172.3
[M]+ 291.18289 174.9
[M]- 291.18399 174.9
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

patents stripe