CID 527249

Dtxsid601250272

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: 193
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	134.8
[M+Na]+	177.12499	144.0
[M-H]-	153.12849	140.4
[M+NH4]+	172.16959	152.2
[M+K]+	193.09893	144.0
[M+H-H2O]+	137.13303	130.1
[M+HCOO]-	199.13397	155.8
[M+CH3COO]-	213.14962	183.6
[M+Na-2H]-	175.11044	140.9
[M]+	154.13522	140.2
[M]-	154.13632	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe