CID 103654

2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol

Structural Information

Molecular Formula
C14H20O4
SMILES
CC1CC(OC(O1)C2=CC(=C(C=C2)O)OC)(C)C
InChI
InChI=1S/C14H20O4/c1-9-8-14(2,3)18-13(17-9)10-5-6-11(15)12(7-10)16-4/h5-7,9,13,15H,8H2,1-4H3
InChIKey
CIOMDFVGRMKKNB-UHFFFAOYSA-N
Compound name
2-methoxy-4-(4,4,6-trimethyl-1,3-dioxan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

252.13615 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 156.4
[M+Na]+ 275.12537 164.3
[M-H]- 251.12887 163.6
[M+NH4]+ 270.16997 172.8
[M+K]+ 291.09931 164.8
[M+H-H2O]+ 235.13341 150.4
[M+HCOO]- 297.13435 174.0
[M+CH3COO]- 311.15000 193.3
[M+Na-2H]- 273.11082 161.4
[M]+ 252.13560 158.5
[M]- 252.13670 158.5
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

patents stripe