CID 57483299

Phenol, 4-(3,6-dihydro-4-methyl-2h-pyran-2-yl)-2-methoxy-

Structural Information

Molecular Formula
C13H16O3
SMILES
CC1=CCOC(C1)C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C13H16O3/c1-9-5-6-16-12(7-9)10-3-4-11(14)13(8-10)15-2/h3-5,8,12,14H,6-7H2,1-2H3
InChIKey
PQXGNHKDFJJCLJ-UHFFFAOYSA-N
Compound name
2-methoxy-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

220.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 147.9
[M+Na]+ 243.099158 155.3
[M-H]- 219.102664 154.2
[M+NH4]+ 238.143763 164.6
[M+K]+ 259.073098 153.9
[M+H-H2O]+ 203.107200 141.2
[M+HCOO]- 265.108141 168.0
[M+CH3COO]- 279.123791 186.7
[M+Na-2H]- 241.084606 152.9
[M]+ 220.10939142 148.1
[M]- 220.11048858 148.1
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

patents stripe