CID 171120735

Oblatone f

Structural Information

Molecular Formula
C25H38O4
SMILES
CCC/C=C\CCCCC/C=C\CCCCCC(=O)C1=C(C=C(C=C1OC)O)O
InChI
InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)25-23(28)19-21(26)20-24(25)29-2/h5-6,12-13,19-20,26,28H,3-4,7-11,14-18H2,1-2H3/b6-5-,13-12-
InChIKey
CSDHZVJVEIDABE-JKHKTYJBSA-N
Compound name
(7Z,14Z)-1-(2,4-dihydroxy-6-methoxyphenyl)octadeca-7,14-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.277 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.28428 204.8
[M+Na]+ 425.26622 207.7
[M-H]- 401.26972 203.7
[M+NH4]+ 420.31082 214.8
[M+K]+ 441.24016 201.2
[M+H-H2O]+ 385.27426 196.9
[M+HCOO]- 447.27520 221.4
[M+CH3COO]- 461.29085 222.9
[M+Na-2H]- 423.25167 200.4
[M]+ 402.27645 210.8
[M]- 402.27755 210.8
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.