CID 85585

1,3-benzenediol, 4-methyl-5-pentadecyl-

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C
InChI
InChI=1S/C22H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)18-22(24)19(20)2/h17-18,23-24H,3-16H2,1-2H3
InChIKey
CRYTZHPAQMYMOJ-UHFFFAOYSA-N
Compound name
4-methyl-5-pentadecylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

334.28717 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.294446 189.3
[M+Na]+ 357.276388 193.0
[M-H]- 333.279894 188.6
[M+NH4]+ 352.320993 202.5
[M+K]+ 373.250328 187.2
[M+H-H2O]+ 317.284430 182.1
[M+HCOO]- 379.285371 206.9
[M+CH3COO]- 393.301021 212.7
[M+Na-2H]- 355.261836 187.4
[M]+ 334.28662142 194.2
[M]- 334.28771858 194.2
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

patents stripe