CID 11170932

Hydroperoxide, 1-methoxy-1-methylethyl

Structural Information

Molecular Formula

C₄H₁₀O₃

SMILES

CC(C)(OC)OO

InChI

InChI=1S/C4H10O3/c1-4(2,6-3)7-5/h5H,1-3H3

InChIKey

PSBSELFEZHDPTA-UHFFFAOYSA-N

Compound name

2-hydroperoxy-2-methoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 65
Patents: 106.062996 Da
Monoisotopic Mass: 0.2
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]+	107.070272	119.0
[M+Na]+	129.052214	127.1
[M-H]-	105.055720	118.5
[M+NH4]+	124.096819	141.7
[M+K]+	145.026154	128.3
[M+H-H2O]+	89.060256	115.6
[M+HCOO]-	151.061197	141.2
[M+CH3COO]-	165.076847	164.7
[M+Na-2H]-	127.037662	127.4
[M]+	106.06244742	121.6
[M]-	106.06354458	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe