CID 86178407

5-octadecyl-1,3-benzenediol

Structural Information

Molecular Formula
C24H42O2
SMILES
CCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C24H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21-24(26)20-22/h19-21,25-26H,2-18H2,1H3
InChIKey
DIYZHCBFGMXRHF-UHFFFAOYSA-N
Compound name
5-octadecylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.31848 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.32576 198.5
[M+Na]+ 385.30770 200.3
[M-H]- 361.31120 197.0
[M+NH4]+ 380.35230 210.2
[M+K]+ 401.28164 194.0
[M+H-H2O]+ 345.31574 190.5
[M+HCOO]- 407.31668 215.3
[M+CH3COO]- 421.33233 217.4
[M+Na-2H]- 383.29315 196.2
[M]+ 362.31793 203.7
[M]- 362.31903 203.7
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