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

3
Annotation Hits: 0
References: 3378
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]+	147.101576	130.5
[M+Na]+	169.083518	138.0
[M-H]-	145.087024	131.2
[M+NH4]+	164.128123	152.3
[M+K]+	185.057458	139.3
[M+H-H2O]+	129.091560	126.6
[M+HCOO]-	191.092501	152.5
[M+CH3COO]-	205.108151	175.7
[M+Na-2H]-	167.068966	136.8
[M]+	146.09375142	134.8
[M]-	146.09484858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe