CID 9855656

(5e)-3,4-dimethyl-5-pentylidene-oxolan-2-one

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CCCC/C=C/1\C(C(C(=O)O1)C)C

InChI

InChI=1S/C11H18O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7-9H,4-6H2,1-3H3/b10-7+

InChIKey

GKHOOSNEXYJMQR-JXMROGBWSA-N

Compound name

(5E)-3,4-dimethyl-5-pentylideneoxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 182.13068 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]+	183.13796	142.3
[M+Na]+	205.11990	152.7
[M+NH4]+	200.16450	150.0
[M+K]+	221.09384	148.5
[M-H]-	181.12340	144.3
[M+Na-2H]-	203.10535	144.5
[M]+	182.13013	144.1
[M]-	182.13123	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe