CID 28008

16720-01-7

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1(C2=CC=CC=C2C3=C(C=C(C=C3O1)O)O)C
InChI
InChI=1S/C15H14O3/c1-15(2)11-6-4-3-5-10(11)14-12(17)7-9(16)8-13(14)18-15/h3-8,16-17H,1-2H3
InChIKey
YWPDGABYTMCJDP-UHFFFAOYSA-N
Compound name
6,6-dimethylbenzo[c]chromene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 152.1
[M+Na]+ 265.08352 162.6
[M-H]- 241.08702 156.6
[M+NH4]+ 260.12812 171.8
[M+K]+ 281.05746 159.3
[M+H-H2O]+ 225.09156 146.2
[M+HCOO]- 287.09250 169.5
[M+CH3COO]- 301.10815 165.0
[M+Na-2H]- 263.06897 160.7
[M]+ 242.09375 153.5
[M]- 242.09485 153.5
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.