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
1
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]+ 225.11214 148.8
[M+Na]+ 247.09408 155.6
[M-H]- 223.09758 155.6
[M+NH4]+ 242.13868 163.9
[M+K]+ 263.06802 156.2
[M+H-H2O]+ 207.10212 142.2
[M+HCOO]- 269.10306 167.1
[M+CH3COO]- 283.11871 186.5
[M+Na-2H]- 245.07953 154.2
[M]+ 224.10431 149.4
[M]- 224.10541 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