CID 76722

Tangerinol

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CC(CCC=C(C)CCC=C(C)C)OC(=O)C

InChI

InChI=1S/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3

InChIKey

BXGLLMNDXKACMT-UHFFFAOYSA-N

Compound name

6,10-dimethylundeca-5,9-dien-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 260
Patents: 238.19328 Da
Monoisotopic Mass: 4.7
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	162.4
[M+Na]+	261.18250	170.1
[M+NH4]+	256.22710	167.9
[M+K]+	277.15644	165.0
[M-H]-	237.18600	160.1
[M+Na-2H]-	259.16795	162.5
[M]+	238.19273	162.4
[M]-	238.19383	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe