CID 88154

19576-38-6

Structural Information

Molecular Formula
C15H24O3
SMILES
CC(C)(C1=CC(=CC(=C1)C(C)(C)O)C(C)(C)O)O
InChI
InChI=1S/C15H24O3/c1-13(2,16)10-7-11(14(3,4)17)9-12(8-10)15(5,6)18/h7-9,16-18H,1-6H3
InChIKey
FMCWGKXGRNQNLD-UHFFFAOYSA-N
Compound name
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

252.17255 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 159.5
[M+Na]+ 275.161768 166.0
[M-H]- 251.165274 159.5
[M+NH4]+ 270.206373 175.3
[M+K]+ 291.135708 163.4
[M+H-H2O]+ 235.169810 155.6
[M+HCOO]- 297.170751 173.4
[M+CH3COO]- 311.186401 191.8
[M+Na-2H]- 273.147216 164.7
[M]+ 252.17200142 159.7
[M]- 252.17309858 159.7
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