CID 101417159

(5alpha,10alpha)-3,7(11)-eudesmadien-2-one

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC1=CC(=O)CC2(C1CC(=C(C)C)CC2)C

InChI

InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,14H,5-6,8-9H2,1-4H3

InChIKey

SVQMAXHCMOZBSF-UHFFFAOYSA-N

Compound name

4,8a-dimethyl-6-propan-2-ylidene-4a,5,7,8-tetrahydro-1H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.16707 Da
Monoisotopic Mass: 3.1
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]+	219.174346	150.4
[M+Na]+	241.156288	156.8
[M-H]-	217.159794	154.4
[M+NH4]+	236.200893	172.4
[M+K]+	257.130228	153.5
[M+H-H2O]+	201.164330	145.4
[M+HCOO]-	263.165271	166.6
[M+CH3COO]-	277.180921	191.8
[M+Na-2H]-	239.141736	152.6
[M]+	218.16652142	146.2
[M]-	218.16761858	146.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.