CID 14475572

Phenol, 2(or 4)-sec-eicosyl-

Structural Information

Molecular Formula
C26H46O
SMILES
CCCCCCCCCCCCCCCCCCC(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C26H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2)25-20-22-26(27)23-21-25/h20-24,27H,3-19H2,1-2H3
InChIKey
IZSJNGFPDTYRSB-UHFFFAOYSA-N
Compound name
4-icosan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

374.35486 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.36214 205.3
[M+Na]+ 397.34408 205.6
[M-H]- 373.34758 204.5
[M+NH4]+ 392.38868 216.9
[M+K]+ 413.31802 199.5
[M+H-H2O]+ 357.35212 196.8
[M+HCOO]- 419.35306 221.8
[M+CH3COO]- 433.36871 223.6
[M+Na-2H]- 395.32953 201.8
[M]+ 374.35431 210.7
[M]- 374.35541 210.7
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