CID 10176661

Dimethylmethoxy chromanol

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1(CCC2=CC(=C(C=C2O1)OC)O)C
InChI
InChI=1S/C12H16O3/c1-12(2)5-4-8-6-9(13)11(14-3)7-10(8)15-12/h6-7,13H,4-5H2,1-3H3
InChIKey
JXPHIHWXMBYJAU-UHFFFAOYSA-N
Compound name
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1706
Patents

208.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 143.9
[M+Na]+ 231.09916 157.2
[M+NH4]+ 226.14376 154.2
[M+K]+ 247.07310 149.3
[M-H]- 207.10266 147.6
[M+Na-2H]- 229.08461 150.2
[M]+ 208.10939 147.1
[M]- 208.11049 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe