CID 94403

Farnesyl acetate

Structural Information

Molecular Formula

C₁₇H₂₈O₂

SMILES

CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C

InChI

InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3

InChIKey

ZGIGZINMAOQWLX-UHFFFAOYSA-N

Compound name

3,7,11-trimethyldodeca-2,6,10-trienyl acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 30
References: 1969
Patents: 264.20892 Da
Monoisotopic Mass: 5.3
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]+	265.216196	170.3
[M+Na]+	287.198138	173.7
[M-H]-	263.201644	169.2
[M+NH4]+	282.242743	187.1
[M+K]+	303.172078	171.0
[M+H-H2O]+	247.206180	164.6
[M+HCOO]-	309.207121	187.9
[M+CH3COO]-	323.222771	201.3
[M+Na-2H]-	285.183586	166.7
[M]+	264.20837142	173.0
[M]-	264.20946858	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe