CID 119193

148081-72-5

Structural Information

Molecular Formula
C15H24O2
SMILES
CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C
InChI
InChI=1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3
InChIKey
ATMNQRRJNBCQJO-UHFFFAOYSA-N
Compound name
4-hexoxy-2,3,6-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

317
Patents

236.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.2
[M+Na]+ 259.16685 164.3
[M-H]- 235.17035 158.8
[M+NH4]+ 254.21145 174.5
[M+K]+ 275.14079 161.3
[M+H-H2O]+ 219.17489 150.5
[M+HCOO]- 281.17583 177.7
[M+CH3COO]- 295.19148 195.5
[M+Na-2H]- 257.15230 158.0
[M]+ 236.17708 160.9
[M]- 236.17818 160.9
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