CID 53394978

Ns00076869

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC(C)C=CCCCCC(=O)NCC1CC=C(C(=C1)OC)O
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/h6,8,11-12,14-15,20H,4-5,7,9-10,13H2,1-3H3,(H,19,21)
InChIKey
MKVNHBVBZJTLJG-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl)methyl]-8-methylnon-6-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 178.3
[M+Na]+ 330.203968 181.4
[M-H]- 306.207474 179.2
[M+NH4]+ 325.248573 192.3
[M+K]+ 346.177908 178.1
[M+H-H2O]+ 290.212010 171.1
[M+HCOO]- 352.212951 197.0
[M+CH3COO]- 366.228601 208.3
[M+Na-2H]- 328.189416 176.7
[M]+ 307.21420142 179.6
[M]- 307.21529858 179.6
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.