CID 34540

Amorphane

Structural Information

Molecular Formula

C₁₅H₂₈

SMILES

CC1CCC2C(CCC(C2C1)C(C)C)C

InChI

InChI=1S/C15H28/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10-15H,5-9H2,1-4H3

InChIKey

FZZNNPQZDRVKLU-UHFFFAOYSA-N

Compound name

1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 56
Patents: 208.2191 Da
Monoisotopic Mass: 6.2
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]+	209.22638	152.7
[M+Na]+	231.20832	156.4
[M-H]-	207.21182	155.8
[M+NH4]+	226.25292	173.1
[M+K]+	247.18226	153.8
[M+H-H2O]+	191.21636	147.0
[M+HCOO]-	253.21730	166.8
[M+CH3COO]-	267.23295	193.0
[M+Na-2H]-	229.19377	152.6
[M]+	208.21855	146.7
[M]-	208.21965	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe