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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.13796	151.6
[M+Na]+	253.11990	165.8
[M+NH4]+	248.16450	163.3
[M+K]+	269.09384	156.3
[M-H]-	229.12340	156.7
[M+Na-2H]-	251.10535	158.0
[M]+	230.13013	155.4
[M]-	230.13123	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe