CID 131752167

2,10-bisaboladiene-1,4-diol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC1=CC(C(CC1O)C(C)CCC=C(C)C)O

InChI

InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-14(16)12(4)8-15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3

InChIKey

FPSDOHYYKFXKFR-UHFFFAOYSA-N

Compound name

2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-ene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 238.19328 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]+	239.200556	159.8
[M+Na]+	261.182498	164.4
[M-H]-	237.186004	160.0
[M+NH4]+	256.227103	176.7
[M+K]+	277.156438	161.2
[M+H-H2O]+	221.190540	154.6
[M+HCOO]-	283.191481	175.0
[M+CH3COO]-	297.207131	192.8
[M+Na-2H]-	259.167946	157.3
[M]+	238.19273142	157.3
[M]-	238.19382858	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe