CID 171120736

Oblatone g

Structural Information

Molecular Formula
C25H42O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)C1=C(C=C(C=C1OC)O)O
InChI
InChI=1S/C25H42O4/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/h19-20,26,28H,3-18H2,1-2H3
InChIKey
GEOLXBSRHFGZNS-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-6-methoxyphenyl)octadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.30832 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.31560 207.5
[M+Na]+ 429.29754 209.6
[M-H]- 405.30104 206.2
[M+NH4]+ 424.34214 217.3
[M+K]+ 445.27148 204.3
[M+H-H2O]+ 389.30558 199.3
[M+HCOO]- 451.30652 223.6
[M+CH3COO]- 465.32217 225.6
[M+Na-2H]- 427.28299 202.9
[M]+ 406.30777 215.0
[M]- 406.30887 215.0
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.