CID 3043140

55143-11-8

Structural Information

Molecular Formula
C16H24O3
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCC(CO)O)CC=C
InChI
InChI=1S/C16H24O3/c1-5-6-12-9-13(16(2,3)4)7-8-15(12)19-11-14(18)10-17/h5,7-9,14,17-18H,1,6,10-11H2,2-4H3
InChIKey
XPOXPTLEXHZSHD-UHFFFAOYSA-N
Compound name
3-(4-tert-butyl-2-prop-2-enylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 164.6
[M+Na]+ 287.16177 170.4
[M-H]- 263.16527 165.2
[M+NH4]+ 282.20637 180.4
[M+K]+ 303.13571 167.1
[M+H-H2O]+ 247.16981 159.0
[M+HCOO]- 309.17075 182.1
[M+CH3COO]- 323.18640 195.4
[M+Na-2H]- 285.14722 166.3
[M]+ 264.17200 166.5
[M]- 264.17310 166.5
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

No patent data available for this compound.