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]+ 265.179826 164.6
[M+Na]+ 287.161768 170.4
[M-H]- 263.165274 165.2
[M+NH4]+ 282.206373 180.4
[M+K]+ 303.135708 167.1
[M+H-H2O]+ 247.169810 159.0
[M+HCOO]- 309.170751 182.1
[M+CH3COO]- 323.186401 195.4
[M+Na-2H]- 285.147216 166.3
[M]+ 264.17200142 166.5
[M]- 264.17309858 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.