CID 91354

Aromadendrene

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC1CCC2C1C3C(C3(C)C)CCC2=C

InChI

InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3

InChIKey

ITYNGVSTWVVPIC-UHFFFAOYSA-N

Compound name

1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 36
References: 2203
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	142.3
[M+Na]+	227.17702	150.1
[M-H]-	203.18052	149.1
[M+NH4]+	222.22162	161.5
[M+K]+	243.15096	148.0
[M+H-H2O]+	187.18506	139.0
[M+HCOO]-	249.18600	158.3
[M+CH3COO]-	263.20165	154.4
[M+Na-2H]-	225.16247	144.5
[M]+	204.18725	139.8
[M]-	204.18835	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe