CID 85688

14166-03-1

Structural Information

Molecular Formula

C₂₃H₃₂O₂

SMILES

CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H32O2/c1-16-10-12-19(15-21-17(2)11-13-20(16)21)23(3,4)25-22(24)14-18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3

InChIKey

UTINEQJTEXCBGS-UHFFFAOYSA-N

Compound name

2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.24023 Da
Monoisotopic Mass: 5.2
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]+	341.247506	184.1
[M+Na]+	363.229448	186.9
[M-H]-	339.232954	191.7
[M+NH4]+	358.274053	199.5
[M+K]+	379.203388	186.4
[M+H-H2O]+	323.237490	178.9
[M+HCOO]-	385.238431	199.3
[M+CH3COO]-	399.254081	214.5
[M+Na-2H]-	361.214896	182.4
[M]+	340.23968142	180.7
[M]-	340.24077858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.