CID 4377937

13037-88-2

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)O
InChI
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(23)17-19-22/h16-19,23H,2-15,20H2,1H3
InChIKey
CWTMUDGIRYDDHJ-UHFFFAOYSA-N
Compound name
4-hexadecoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
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 189.9
[M+Na]+ 357.27639 192.1
[M-H]- 333.27989 189.8
[M+NH4]+ 352.32099 203.1
[M+K]+ 373.25033 187.0
[M+H-H2O]+ 317.28443 181.8
[M+HCOO]- 379.28537 208.9
[M+CH3COO]- 393.30102 212.9
[M+Na-2H]- 355.26184 189.8
[M]+ 334.28662 195.9
[M]- 334.28772 195.9
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