CID 6428487

Alpha-alaskene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

C[C@H]1CCC(=C(C)C)C12CCC(=CC2)C

InChI

InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13H,5-6,8-10H2,1-4H3/t13-,15?/m0/s1

InChIKey

HMKLOOMRRZKSNM-CFMCSPIPSA-N

Compound name

(1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	205.19508	150.8
[M+Na]+	227.17702	156.5
[M-H]-	203.18052	156.0
[M+NH4]+	222.22162	174.3
[M+K]+	243.15096	153.1
[M+H-H2O]+	187.18506	145.7
[M+HCOO]-	249.18600	169.0
[M+CH3COO]-	263.20165	187.9
[M+Na-2H]-	225.16247	150.9
[M]+	204.18725	145.5
[M]-	204.18835	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe