CID 6452209

2-methylcardol monoene

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

347
Patents

332.27155 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 188.4
[M+Na]+ 355.26077 198.9
[M+NH4]+ 350.30537 194.3
[M+K]+ 371.23471 189.8
[M-H]- 331.26427 189.2
[M+Na-2H]- 353.24622 190.8
[M]+ 332.27100 190.0
[M]- 332.27210 190.0
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