CID 122371

Myrcene epoxide

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C(O1)CCC(=C)C=C)C

InChI

InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5,9H,1-2,6-7H2,3-4H3

InChIKey

DQGZGGZXMOFHLB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 160
Patents: 152.12012 Da
Monoisotopic Mass: 3.0
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	133.6
[M+Na]+	175.109338	143.1
[M-H]-	151.112844	139.3
[M+NH4]+	170.153943	151.0
[M+K]+	191.083278	142.4
[M+H-H2O]+	135.117380	129.0
[M+HCOO]-	197.118321	154.7
[M+CH3COO]-	211.133971	182.7
[M+Na-2H]-	173.094786	139.7
[M]+	152.11957142	138.4
[M]-	152.12066858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe