CID 16206086

94232-80-1

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CC1CC(C=C2C1(CC(CC2)C(=C)C)C)OC(=O)C

InChI

InChI=1S/C17H26O2/c1-11(2)14-6-7-15-9-16(19-13(4)18)8-12(3)17(15,5)10-14/h9,12,14,16H,1,6-8,10H2,2-5H3

InChIKey

HBDWWOUDCDZJLZ-UHFFFAOYSA-N

Compound name

(4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 262.19327 Da
Monoisotopic Mass: 4.5
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]+	263.200546	162.6
[M+Na]+	285.182488	167.7
[M-H]-	261.185994	166.1
[M+NH4]+	280.227093	182.7
[M+K]+	301.156428	165.1
[M+H-H2O]+	245.190530	157.3
[M+HCOO]-	307.191471	177.3
[M+CH3COO]-	321.207121	200.8
[M+Na-2H]-	283.167936	162.7
[M]+	262.19272142	160.0
[M]-	262.19381858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe