CID 73015594

Eudesma-2,4,11-triene

Structural Information

Molecular Formula

C₁₅H₂₂

SMILES

CC1=C2CC(CCC2(CC=C1)C)C(=C)C

InChI

InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-6,13H,1,7-10H2,2-4H3

InChIKey

LGRISOGTKBAJPA-UHFFFAOYSA-N

Compound name

4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.17215 Da
Monoisotopic Mass: 4.6
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]+	203.179426	147.7
[M+Na]+	225.161368	153.8
[M-H]-	201.164874	151.6
[M+NH4]+	220.205973	170.2
[M+K]+	241.135308	150.4
[M+H-H2O]+	185.169410	142.3
[M+HCOO]-	247.170351	165.0
[M+CH3COO]-	261.186001	189.7
[M+Na-2H]-	223.146816	151.4
[M]+	202.17160142	143.8
[M]-	202.17269858	143.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.