CID 91983

Schembl3676278

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CCCC2(C(O2)CC1)C

InChI

InChI=1S/C10H16O/c1-8-4-3-7-10(2)9(11-10)6-5-8/h4,9H,3,5-7H2,1-2H3

InChIKey

BZIFVLXIZIMQRT-UHFFFAOYSA-N

Compound name

1,5-dimethyl-9-oxabicyclo[6.1.0]non-4-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 152.12012 Da
Monoisotopic Mass: 2.0
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]+	153.127396	139.0
[M+Na]+	175.109338	145.0
[M-H]-	151.112844	142.2
[M+NH4]+	170.153943	147.5
[M+K]+	191.083278	146.1
[M+H-H2O]+	135.117380	136.1
[M+HCOO]-	197.118321	148.1
[M+CH3COO]-	211.133971	145.1
[M+Na-2H]-	173.094786	141.8
[M]+	152.11957142	140.3
[M]-	152.12066858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe