CID 20833769

Refchem:439761

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1=C[C@@]2([C@@](CCCC2(C)C)(CC1=O)C)C

InChI

InChI=1S/C15H24O/c1-11-9-15(5)13(2,3)7-6-8-14(15,4)10-12(11)16/h9H,6-8,10H2,1-5H3/t14-,15-/m0/s1

InChIKey

RLXROWVGHRKLQF-GJZGRUSLSA-N

Compound name

(4aS,8aS)-3,4a,5,5,8a-pentamethyl-1,6,7,8-tetrahydronaphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 220.18271 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]+	221.189986	148.2
[M+Na]+	243.171928	156.5
[M-H]-	219.175434	152.9
[M+NH4]+	238.216533	174.3
[M+K]+	259.145868	153.9
[M+H-H2O]+	203.179970	144.1
[M+HCOO]-	265.180911	165.3
[M+CH3COO]-	279.196561	192.1
[M+Na-2H]-	241.157376	154.0
[M]+	220.18216142	146.3
[M]-	220.18325858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe