CID 277452

15188-34-8

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC(=C)C1CCC2(CCC(=O)CC2(C1)C)C

InChI

InChI=1S/C15H24O/c1-11(2)12-5-7-14(3)8-6-13(16)10-15(14,4)9-12/h12H,1,5-10H2,2-4H3

InChIKey

VESUMYPXHVXDJI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.18271 Da
Monoisotopic Mass: 4.3
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]+	221.189986	152.2
[M+Na]+	243.171928	157.4
[M-H]-	219.175434	155.6
[M+NH4]+	238.216533	175.6
[M+K]+	259.145868	154.6
[M+H-H2O]+	203.179970	147.4
[M+HCOO]-	265.180911	166.8
[M+CH3COO]-	279.196561	191.4
[M+Na-2H]-	241.157376	155.0
[M]+	220.18216142	146.5
[M]-	220.18325858	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.