CID 5255901

Isocurcumenol [m+h]+

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1CCC2C13CC(=C(C)C)C(O3)(CC2=C)O

InChI

InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h11-12,16H,3,5-8H2,1-2,4H3

InChIKey

DEBDFZGNZTYPMF-UHFFFAOYSA-N

Compound name

2-methyl-6-methylidene-9-propan-2-ylidene-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.16199 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]+	235.169266	156.2
[M+Na]+	257.151208	163.3
[M-H]-	233.154714	159.6
[M+NH4]+	252.195813	182.1
[M+K]+	273.125148	159.7
[M+H-H2O]+	217.159250	153.5
[M+HCOO]-	279.160191	169.8
[M+CH3COO]-	293.175841	190.5
[M+Na-2H]-	255.136656	157.3
[M]+	234.16144142	153.2
[M]-	234.16253858	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.