CID 74353

1,4-benzenediol, 2-octadecyl-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
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

No literature data available for this compound.

Patent stripe

patents stripe