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
2
Annotation Hits

2
References

271
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 188.0
[M+Na]+ 355.26077 192.1
[M-H]- 331.26427 187.4
[M+NH4]+ 350.30537 201.3
[M+K]+ 371.23471 185.7
[M+H-H2O]+ 315.26881 180.9
[M+HCOO]- 377.26975 205.8
[M+CH3COO]- 391.28540 211.3
[M+Na-2H]- 353.24622 186.2
[M]+ 332.27100 192.2
[M]- 332.27210 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.