CID 25076609

94201-21-5

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CC1CC(C=C2C1(CC3C(C2)C3(C)C)C)OC(=O)C

InChI

InChI=1S/C17H26O2/c1-10-6-13(19-11(2)18)7-12-8-14-15(16(14,3)4)9-17(10,12)5/h7,10,13-15H,6,8-9H2,1-5H3

InChIKey

CBLNQIJEORRXGJ-UHFFFAOYSA-N

Compound name

(1,1,6,6a-tetramethyl-2,4,5,6,7,7a-hexahydro-1aH-cyclopropa[b]naphthalen-4-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.19327 Da
Monoisotopic Mass: 3.9
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	164.4
[M+Na]+	285.182488	173.8
[M-H]-	261.185994	170.2
[M+NH4]+	280.227093	182.8
[M+K]+	301.156428	171.3
[M+H-H2O]+	245.190530	159.8
[M+HCOO]-	307.191471	178.7
[M+CH3COO]-	321.207121	204.1
[M+Na-2H]-	283.167936	167.6
[M]+	262.19272142	167.8
[M]-	262.19381858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.