CID 68316

Perillene

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(=CCCC1=COC=C1)C

InChI

InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3

InChIKey

XNGKCOFXDHYSGR-UHFFFAOYSA-N

Compound name

3-(4-methylpent-3-enyl)furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1150
Patents: 150.10446 Da
Monoisotopic Mass: 3.2
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]+	151.11174	133.9
[M+Na]+	173.09368	141.0
[M-H]-	149.09718	137.9
[M+NH4]+	168.13828	155.7
[M+K]+	189.06762	140.5
[M+H-H2O]+	133.10172	128.8
[M+HCOO]-	195.10266	157.4
[M+CH3COO]-	209.11831	175.8
[M+Na-2H]-	171.07913	139.0
[M]+	150.10391	135.5
[M]-	150.10501	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe