CID 565648

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

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

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

InChI

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

InChIKey

IVZATFCVCDHOLU-UHFFFAOYSA-N

Compound name

4,8a-dimethyl-6-prop-1-en-2-yl-1,4a,5,6,7,8-hexahydronaphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.16707 Da
Monoisotopic Mass: 3.8
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	150.2
[M+Na]+	241.156288	156.5
[M-H]-	217.159794	154.1
[M+NH4]+	236.200893	172.1
[M+K]+	257.130228	153.2
[M+H-H2O]+	201.164330	145.2
[M+HCOO]-	263.165271	166.4
[M+CH3COO]-	277.180921	192.5
[M+Na-2H]-	239.141736	152.4
[M]+	218.16652142	146.1
[M]-	218.16761858	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe