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

4
Patents

230.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 150.9
[M+Na]+ 253.11990 159.0
[M-H]- 229.12340 155.6
[M+NH4]+ 248.16450 171.4
[M+K]+ 269.09384 156.1
[M+H-H2O]+ 213.12794 144.8
[M+HCOO]- 275.12888 166.8
[M+CH3COO]- 289.14453 163.2
[M+Na-2H]- 251.10535 158.5
[M]+ 230.13013 149.2
[M]- 230.13123 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