CID 6442578

Nornorcapsaicin

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CC(C)/C=C/CCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C16H23NO3/c1-12(2)6-4-5-7-16(19)17-11-13-8-9-14(18)15(10-13)20-3/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,17,19)/b6-4+

InChIKey

UTTHCQMKBGTYNK-GQCTYLIASA-N

Compound name

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methylhept-4-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 52
Patents: 277.1678 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.175076	167.9
[M+Na]+	300.157018	172.9
[M-H]-	276.160524	169.6
[M+NH4]+	295.201623	183.2
[M+K]+	316.130958	169.8
[M+H-H2O]+	260.165060	161.0
[M+HCOO]-	322.166001	188.7
[M+CH3COO]-	336.181651	201.9
[M+Na-2H]-	298.142466	168.2
[M]+	277.16725142	169.9
[M]-	277.16834858	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe