CID 15727151

1-(2,4,6-trimethylphenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1=CC(=C(C(=C1)C)C(CO)O)C
InChI
InChI=1S/C11H16O2/c1-7-4-8(2)11(9(3)5-7)10(13)6-12/h4-5,10,12-13H,6H2,1-3H3
InChIKey
JXHICCPIVYTCHE-UHFFFAOYSA-N
Compound name
1-(2,4,6-trimethylphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.2
[M+Na]+ 203.10426 147.4
[M-H]- 179.10776 140.8
[M+NH4]+ 198.14886 158.7
[M+K]+ 219.07820 144.9
[M+H-H2O]+ 163.11230 134.4
[M+HCOO]- 225.11324 159.5
[M+CH3COO]- 239.12889 180.5
[M+Na-2H]- 201.08971 142.1
[M]+ 180.11449 139.5
[M]- 180.11559 139.5
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.