CID 578368

2-(4-methyl-1,3-dioxolan-2-yl)phenol

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1COC(O1)C2=CC=CC=C2O
InChI
InChI=1S/C10H12O3/c1-7-6-12-10(13-7)8-4-2-3-5-9(8)11/h2-5,7,10-11H,6H2,1H3
InChIKey
FTCZRYRMDPLDRJ-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-dioxolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07864 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 136.0
[M+Na]+ 203.067858 143.8
[M-H]- 179.071364 143.0
[M+NH4]+ 198.112463 154.6
[M+K]+ 219.041798 144.0
[M+H-H2O]+ 163.075900 130.8
[M+HCOO]- 225.076841 156.9
[M+CH3COO]- 239.092491 176.5
[M+Na-2H]- 201.053306 141.8
[M]+ 180.07809142 136.1
[M]- 180.07918858 136.1
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.