CID 57483299

Dtxsid90888935

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

22
Patents

220.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 147.9
[M+Na]+ 243.09916 155.3
[M-H]- 219.10266 154.2
[M+NH4]+ 238.14376 164.6
[M+K]+ 259.07310 153.9
[M+H-H2O]+ 203.10720 141.2
[M+HCOO]- 265.10814 168.0
[M+CH3COO]- 279.12379 186.7
[M+Na-2H]- 241.08461 152.9
[M]+ 220.10939 148.1
[M]- 220.11049 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