CID 97816

2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenol

Structural Information

Molecular Formula
C12H16O4
SMILES
CC1CCOC(O1)C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C12H16O4/c1-8-5-6-15-12(16-8)9-3-4-10(13)11(7-9)14-2/h3-4,7-8,12-13H,5-6H2,1-2H3
InChIKey
ZVJUAEJHNVXHHC-UHFFFAOYSA-N
Compound name
2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

224.10486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.112136 148.8
[M+Na]+ 247.094078 155.6
[M-H]- 223.097584 155.6
[M+NH4]+ 242.138683 163.9
[M+K]+ 263.068018 156.2
[M+H-H2O]+ 207.102120 142.2
[M+HCOO]- 269.103061 167.1
[M+CH3COO]- 283.118711 186.5
[M+Na-2H]- 245.079526 154.2
[M]+ 224.10431142 149.4
[M]- 224.10540858 149.4
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

patents stripe