CID 527249

Epoxy citronellene

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(CCC1C(O1)(C)C)C=C

InChI

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

InChIKey

IQTYEDULQISSGT-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-(3-methylpent-4-enyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
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	135.5
[M+Na]+	177.12499	148.1
[M+NH4]+	172.16959	145.7
[M+K]+	193.09893	142.2
[M-H]-	153.12849	144.9
[M+Na-2H]-	175.11044	143.6
[M]+	154.13522	141.2
[M]-	154.13632	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe