CID 6436627

Ocimen quintoxide

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

C/C=C(/C)\C1CCC(O1)(C)C

InChI

InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5-

InChIKey

LPEYLSKLVYWOEQ-YVMONPNESA-N

Compound name

5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 249
Patents: 154.13577 Da
Monoisotopic Mass: 2.7
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]+	155.14305	136.3
[M+Na]+	177.12499	146.4
[M+NH4]+	172.16959	146.3
[M+K]+	193.09893	140.7
[M-H]-	153.12849	138.8
[M+Na-2H]-	175.11044	141.0
[M]+	154.13522	138.4
[M]-	154.13632	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe