CID 28010

16720-03-9

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1(C2=C(CCCC2)C3=C(C=C(C=C3O1)O)O)C
InChI
InChI=1S/C15H18O3/c1-15(2)11-6-4-3-5-10(11)14-12(17)7-9(16)8-13(14)18-15/h7-8,16-17H,3-6H2,1-2H3
InChIKey
INDSXFNQCMKBOI-UHFFFAOYSA-N
Compound name
6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 154.5
[M+Na]+ 269.11482 163.0
[M-H]- 245.11832 158.1
[M+NH4]+ 264.15942 173.9
[M+K]+ 285.08876 159.9
[M+H-H2O]+ 229.12286 148.7
[M+HCOO]- 291.12380 168.9
[M+CH3COO]- 305.13945 166.3
[M+Na-2H]- 267.10027 161.1
[M]+ 246.12505 153.0
[M]- 246.12615 153.0
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

No patent data available for this compound.