CID 84932

Ethanol, 2-[(1,1-dimethylethyl)dioxy]-

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(C)(C)OOCCO

InChI

InChI=1S/C6H14O3/c1-6(2,3)9-8-5-4-7/h7H,4-5H2,1-3H3

InChIKey

FJAUCWNKOXKMHB-UHFFFAOYSA-N

Compound name

2-tert-butylperoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 134.0943 Da
Monoisotopic Mass: 0.4
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]+	135.101576	128.6
[M+Na]+	157.083518	136.0
[M-H]-	133.087024	127.8
[M+NH4]+	152.128123	150.3
[M+K]+	173.057458	136.6
[M+H-H2O]+	117.091560	124.8
[M+HCOO]-	179.092501	150.2
[M+CH3COO]-	193.108151	170.1
[M+Na-2H]-	155.068966	135.9
[M]+	134.09375142	131.9
[M]-	134.09484858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe