CID 85864149

Alpha-bisabolol oxide c

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(=CCCC1(C2CCC(O1)(C(C2)O)C)C)C

InChI

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

InChIKey

YXKYEDPZIRLAKN-UHFFFAOYSA-N

Compound name

1,3-dimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.2]octan-6-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 238.19328 Da
Monoisotopic Mass: 3.2
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	158.8
[M+Na]+	261.18250	167.6
[M+NH4]+	256.22710	171.2
[M+K]+	277.15644	157.3
[M-H]-	237.18600	157.5
[M+Na-2H]-	259.16795	157.1
[M]+	238.19273	159.9
[M]-	238.19383	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe