CID 6452209

50423-13-7

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCCC/C=C\CCCCCCCC1=CC(=C(C(=C1)O)C)O
InChI
InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19(2)22(24)18-20/h8-9,17-18,23-24H,3-7,10-16H2,1-2H3/b9-8-
InChIKey
LDBPJTXLCRXBIJ-HJWRWDBZSA-N
Compound name
2-methyl-5-[(Z)-pentadec-8-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

272
Patents

332.27155 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.278826 188.0
[M+Na]+ 355.260768 192.1
[M-H]- 331.264274 187.4
[M+NH4]+ 350.305373 201.3
[M+K]+ 371.234708 185.7
[M+H-H2O]+ 315.268810 180.9
[M+HCOO]- 377.269751 205.8
[M+CH3COO]- 391.285401 211.3
[M+Na-2H]- 353.246216 186.2
[M]+ 332.27100142 192.2
[M]- 332.27209858 192.2
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