CID 520957

Refchem:1092906

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1=CCC2C3C1C2(CCCC3(C)C)C

InChI

InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3

InChIKey

HICYDYJTCDBHMZ-UHFFFAOYSA-N

Compound name

2,6,6,9-tetramethyltricyclo[5.4.0.02,8]undec-9-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 335
Patents: 204.1878 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]+	205.195076	161.4
[M+Na]+	227.177018	167.5
[M-H]-	203.180524	165.0
[M+NH4]+	222.221623	182.0
[M+K]+	243.150958	166.2
[M+H-H2O]+	187.185060	155.4
[M+HCOO]-	249.186001	172.9
[M+CH3COO]-	263.201651	172.0
[M+Na-2H]-	225.162466	168.2
[M]+	204.18725142	168.6
[M]-	204.18834858	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe