CID 41969

Canbisol

Structural Information

Molecular Formula

C₂₄H₃₈O₃

SMILES

CCCCCCC(C)(C)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)C)O)O

InChI

InChI=1S/C24H38O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,17-19,25-26H,6-12,15H2,1-5H3

InChIKey

UEKGZFCGRQYMRM-UHFFFAOYSA-N

Compound name

6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 61
Patents: 374.2821 Da
Monoisotopic Mass: 6.8
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]+	375.289376	196.7
[M+Na]+	397.271318	201.2
[M-H]-	373.274824	198.5
[M+NH4]+	392.315923	211.0
[M+K]+	413.245258	197.3
[M+H-H2O]+	357.279360	190.3
[M+HCOO]-	419.280301	204.7
[M+CH3COO]-	433.295951	220.2
[M+Na-2H]-	395.256766	198.0
[M]+	374.28155142	196.6
[M]-	374.28264858	196.6

Literature stripe

literature stripe

Patent stripe

patents stripe