CID 86564

4-decan-2-ylphenol

Structural Information

Molecular Formula
C16H26O
SMILES
CCCCCCCCC(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C16H26O/c1-3-4-5-6-7-8-9-14(2)15-10-12-16(17)13-11-15/h10-14,17H,3-9H2,1-2H3
InChIKey
CIIDOZQHEPMZIR-UHFFFAOYSA-N
Compound name
4-decan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

234.19836 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 160.0
[M+Na]+ 257.18758 164.7
[M-H]- 233.19108 161.3
[M+NH4]+ 252.23218 177.5
[M+K]+ 273.16152 161.2
[M+H-H2O]+ 217.19562 153.6
[M+HCOO]- 279.19656 180.0
[M+CH3COO]- 293.21221 193.8
[M+Na-2H]- 255.17303 162.0
[M]+ 234.19781 161.8
[M]- 234.19891 161.8
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