CID 521885

Dtxsid50863662

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC(C)C1=CC(=C(C)C)CCC1(C)C=C

InChI

InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3

InChIKey

QDUJKDRUFBJYSQ-UHFFFAOYSA-N

Compound name

6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 630
Patents: 204.1878 Da
Monoisotopic Mass: 5.0
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	148.4
[M+Na]+	227.17702	154.2
[M-H]-	203.18052	151.6
[M+NH4]+	222.22162	170.0
[M+K]+	243.15096	151.5
[M+H-H2O]+	187.18506	143.9
[M+HCOO]-	249.18600	166.5
[M+CH3COO]-	263.20165	191.4
[M+Na-2H]-	225.16247	149.1
[M]+	204.18725	145.9
[M]-	204.18835	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe