CID 5316212

Curcumadiol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(C)C1=CCC(C2CCC(C2C1)(C)O)(C)O

InChI

InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h5,10,12-13,16-17H,6-9H2,1-4H3

InChIKey

FNMDHMSGEIODFP-UHFFFAOYSA-N

Compound name

1,4-dimethyl-7-propan-2-yl-2,3,3a,5,8,8a-hexahydroazulene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 238.19328 Da
Monoisotopic Mass: 2.2
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]+	239.20056	149.1
[M+Na]+	261.18250	156.0
[M+NH4]+	256.22710	159.0
[M+K]+	277.15644	151.2
[M-H]-	237.18600	149.5
[M+Na-2H]-	259.16795	153.6
[M]+	238.19273	150.3
[M]-	238.19383	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe