CID 28009

16720-02-8

Structural Information

Molecular Formula
C15H18O2
SMILES
CC1(C2=C(CCCC2)C3=C(O1)C=C(C=C3)O)C
InChI
InChI=1S/C15H18O2/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)17-15/h7-9,16H,3-6H2,1-2H3
InChIKey
NMNAQZVZNGCDFU-UHFFFAOYSA-N
Compound name
6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.137956 150.9
[M+Na]+ 253.119898 159.0
[M-H]- 229.123404 155.6
[M+NH4]+ 248.164503 171.4
[M+K]+ 269.093838 156.1
[M+H-H2O]+ 213.127940 144.8
[M+HCOO]- 275.128881 166.8
[M+CH3COO]- 289.144531 163.2
[M+Na-2H]- 251.105346 158.5
[M]+ 230.13013142 149.2
[M]- 230.13122858 149.2
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