CID 595133

.beta.-panasinsene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1(CC23C1CCC2(CCCC3=C)C)C

InChI

InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3

InChIKey

LTMKWDWWHXRNMO-UHFFFAOYSA-N

Compound name

2,2,4a-trimethyl-8-methylidene-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]indene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 69
Patents: 204.1878 Da
Monoisotopic Mass: 5.1
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	150.2
[M+Na]+	227.17702	156.8
[M-H]-	203.18052	156.2
[M+NH4]+	222.22162	172.4
[M+K]+	243.15096	155.1
[M+H-H2O]+	187.18506	142.9
[M+HCOO]-	249.18600	166.2
[M+CH3COO]-	263.20165	191.8
[M+Na-2H]-	225.16247	154.0
[M]+	204.18725	155.4
[M]-	204.18835	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe