CID 85585

16737-83-0

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]+ 335.29445 189.3
[M+Na]+ 357.27639 193.0
[M-H]- 333.27989 188.6
[M+NH4]+ 352.32099 202.5
[M+K]+ 373.25033 187.2
[M+H-H2O]+ 317.28443 182.1
[M+HCOO]- 379.28537 206.9
[M+CH3COO]- 393.30102 212.7
[M+Na-2H]- 355.26184 187.4
[M]+ 334.28662 194.2
[M]- 334.28772 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