CID 54679300

Ferulenol

Structural Information

Molecular Formula
C24H30O3
SMILES
CC(=CCC/C(=C/CC/C(=C/CC1=C(C2=CC=CC=C2OC1=O)O)/C)/C)C
InChI
InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
InChIKey
NJJDBBUWWOAOLD-CFBAGHHKSA-N
Compound name
4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

69
Patents

366.21948 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22676 193.5
[M+Na]+ 389.20870 198.6
[M-H]- 365.21220 196.2
[M+NH4]+ 384.25330 205.2
[M+K]+ 405.18264 193.4
[M+H-H2O]+ 349.21674 186.0
[M+HCOO]- 411.21768 208.7
[M+CH3COO]- 425.23333 218.6
[M+Na-2H]- 387.19415 191.5
[M]+ 366.21893 196.7
[M]- 366.22003 196.7
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