CID 520461

Epsilon-muurolene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC(C)C1CCC(=C)C2C1CC(=C)CC2

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,13-15H,3-9H2,1-2H3

InChIKey

NOLWRMQDWRAODO-UHFFFAOYSA-N

Compound name

4,7-dimethylidene-1-propan-2-yl-1,2,3,4a,5,6,8,8a-octahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 204.1878 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]+	205.19508	149.4
[M+Na]+	227.17702	153.7
[M-H]-	203.18052	152.5
[M+NH4]+	222.22162	169.8
[M+K]+	243.15096	149.8
[M+H-H2O]+	187.18506	143.9
[M+HCOO]-	249.18600	163.9
[M+CH3COO]-	263.20165	191.3
[M+Na-2H]-	225.16247	149.4
[M]+	204.18725	142.0
[M]-	204.18835	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe