CID 15094

Gamma-cadinene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1=CC2C(CC1)C(=C)CCC2C(C)C

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3

InChIKey

WRHGORWNJGOVQY-UHFFFAOYSA-N

Compound name

7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 42
References: 1531
Patents: 204.1878 Da
Monoisotopic Mass: 4.3
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	149.2
[M+Na]+	227.17702	154.2
[M-H]-	203.18052	152.7
[M+NH4]+	222.22162	169.7
[M+K]+	243.15096	150.8
[M+H-H2O]+	187.18506	143.6
[M+HCOO]-	249.18600	164.9
[M+CH3COO]-	263.20165	191.8
[M+Na-2H]-	225.16247	150.1
[M]+	204.18725	143.9
[M]-	204.18835	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe