CID 4093363

106954-03-4

Structural Information

Molecular Formula

C₂₂H₂₈O₂

SMILES

CCC1=CC(=C(C=C1)C2(CC(C3=C(O2)C=C(C=C3)CC)(C)C)C)O

InChI

InChI=1S/C22H28O2/c1-6-15-8-10-17(19(23)12-15)22(5)14-21(3,4)18-11-9-16(7-2)13-20(18)24-22/h8-13,23H,6-7,14H2,1-5H3

InChIKey

HSFAZYGPTTXFGZ-UHFFFAOYSA-N

Compound name

5-ethyl-2-(7-ethyl-2,4,4-trimethyl-3H-chromen-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 324.20892 Da
Monoisotopic Mass: 6.1
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]+	325.216196	178.7
[M+Na]+	347.198138	187.6
[M-H]-	323.201644	186.1
[M+NH4]+	342.242743	196.8
[M+K]+	363.172078	183.8
[M+H-H2O]+	307.206180	171.4
[M+HCOO]-	369.207121	195.2
[M+CH3COO]-	383.222771	211.0
[M+Na-2H]-	345.183586	182.7
[M]+	324.20837142	180.8
[M]-	324.20946858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe