CID 5352437

(e)-gamma-bisabolene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1=CC/C(=C(\C)/CCC=C(C)C)/CC1

InChI

InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-

InChIKey

XBGUIVFBMBVUEG-PFONDFGASA-N

Compound name

(4E)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 36
References: 4157
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	151.9
[M+Na]+	227.17702	156.0
[M-H]-	203.18052	154.4
[M+NH4]+	222.22162	171.2
[M+K]+	243.15096	152.9
[M+H-H2O]+	187.18506	146.2
[M+HCOO]-	249.18600	170.1
[M+CH3COO]-	263.20165	190.0
[M+Na-2H]-	225.16247	151.9
[M]+	204.18725	148.7
[M]-	204.18835	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe