CID 162476

41610-76-8

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

CC(=O)OC(C)(CCC1C(O1)(C)C)C=C

InChI

InChI=1S/C12H20O3/c1-6-12(5,14-9(2)13)8-7-10-11(3,4)15-10/h6,10H,1,7-8H2,2-5H3

InChIKey

SVXOLLYBCSDBKK-UHFFFAOYSA-N

Compound name

[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 19
Patents: 212.14125 Da
Monoisotopic Mass: 2.0
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]+	213.14853	150.8
[M+Na]+	235.13047	161.9
[M+NH4]+	230.17507	159.2
[M+K]+	251.10441	157.5
[M-H]-	211.13397	158.3
[M+Na-2H]-	233.11592	157.3
[M]+	212.14070	155.7
[M]-	212.14180	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe