CID 10969651

Belamcandol b

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCC/C=C\CCCCCCCCCC1=CC(=CC(=C1)OC)O
InChI
InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(18-20)24-2/h6-7,17-19,23H,3-5,8-16H2,1-2H3/b7-6-
InChIKey
NKOPRUNFJQCUCF-SREVYHEPSA-N
Compound name
3-methoxy-5-[(Z)-pentadec-10-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.27155 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 188.2
[M+Na]+ 355.26077 191.8
[M-H]- 331.26427 188.6
[M+NH4]+ 350.30537 201.9
[M+K]+ 371.23471 186.2
[M+H-H2O]+ 315.26881 180.5
[M+HCOO]- 377.26975 207.5
[M+CH3COO]- 391.28540 212.6
[M+Na-2H]- 353.24622 187.5
[M]+ 332.27100 193.9
[M]- 332.27210 193.9
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

No patent data available for this compound.