CID 25254571

2h-1-benzopyran-6-ol,3,4-dihydro-7-methoxy-2,2-dimethyl-

Structural Information

Molecular Formula
C12H16O3
SMILES
CC1(CC2=CC=CC=C2OC1(O)OC)C
InChI
InChI=1S/C12H16O3/c1-11(2)8-9-6-4-5-7-10(9)15-12(11,13)14-3/h4-7,13H,8H2,1-3H3
InChIKey
HUROKFLBHRXWRY-UHFFFAOYSA-N
Compound name
2-methoxy-3,3-dimethyl-4H-chromen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

208.10994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11722 143.3
[M+Na]+ 231.09916 152.3
[M-H]- 207.10266 147.7
[M+NH4]+ 226.14376 165.7
[M+K]+ 247.07310 151.6
[M+H-H2O]+ 191.10720 138.6
[M+HCOO]- 253.10814 162.1
[M+CH3COO]- 267.12379 183.6
[M+Na-2H]- 229.08461 152.7
[M]+ 208.10939 144.9
[M]- 208.11049 144.9
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