CID 171120738

Oblatone i

Structural Information

Molecular Formula
C24H40O4
SMILES
CCCCCCCCCCCCCCCC(=O)C1=C(C=C(C(=C1O)C)O)OC
InChI
InChI=1S/C24H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-22(28-3)18-21(26)19(2)24(23)27/h18,26-27H,4-17H2,1-3H3
InChIKey
GGRREXDQHDWFAK-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)hexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.29266 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.29994 202.5
[M+Na]+ 415.28188 205.9
[M-H]- 391.28538 201.8
[M+NH4]+ 410.32648 213.2
[M+K]+ 431.25582 201.0
[M+H-H2O]+ 375.28992 194.8
[M+HCOO]- 437.29086 218.9
[M+CH3COO]- 451.30651 223.9
[M+Na-2H]- 413.26733 197.8
[M]+ 392.29211 210.1
[M]- 392.29321 210.1
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.