CID 102443

Isoterpinolene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1CCC(=C(C)C)C=C1

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3

InChIKey

CIPXOBMYVWRNLL-UHFFFAOYSA-N

Compound name

3-methyl-6-propan-2-ylidenecyclohexene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 228
Patents: 136.1252 Da
Monoisotopic Mass: 3.5
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]+	137.132476	130.1
[M+Na]+	159.114418	136.1
[M-H]-	135.117924	133.4
[M+NH4]+	154.159023	152.2
[M+K]+	175.088358	134.5
[M+H-H2O]+	119.122460	125.1
[M+HCOO]-	181.123401	150.7
[M+CH3COO]-	195.139051	175.6
[M+Na-2H]-	157.099866	134.1
[M]+	136.12465142	126.5
[M]-	136.12574858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe