CID 15715893

690-83-5

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCC(C)(C)OOC(=O)C

InChI

InChI=1S/C7H14O3/c1-5-7(3,4)10-9-6(2)8/h5H2,1-4H3

InChIKey

FSGAMPVWQZPGJF-UHFFFAOYSA-N

Compound name

2-methylbutan-2-yl ethaneperoxoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3243
Patents: 146.0943 Da
Monoisotopic Mass: 1.7
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]+	147.10158	131.0
[M+Na]+	169.08352	140.4
[M+NH4]+	164.12812	138.0
[M+K]+	185.05746	136.8
[M-H]-	145.08702	129.0
[M+Na-2H]-	167.06897	134.0
[M]+	146.09375	131.6
[M]-	146.09485	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe