CID 29073

.beta.-chamigrene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1=CCC2(CC1)C(=C)CCCC2(C)C

InChI

InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3

InChIKey

WLNGPDPILFYWKF-UHFFFAOYSA-N

Compound name

5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 11
Patents: 204.1878 Da
Monoisotopic Mass: 4.7
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	148.2
[M+Na]+	227.17702	154.1
[M-H]-	203.18052	153.4
[M+NH4]+	222.22162	171.8
[M+K]+	243.15096	150.8
[M+H-H2O]+	187.18506	142.9
[M+HCOO]-	249.18600	165.3
[M+CH3COO]-	263.20165	187.9
[M+Na-2H]-	225.16247	152.1
[M]+	204.18725	141.9
[M]-	204.18835	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe