CID 19920

Glycidyl isopropyl ether

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC(C)OCC1CO1

InChI

InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3

InChIKey

NWLUZGJDEZBBRH-UHFFFAOYSA-N

Compound name

2-(propan-2-yloxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 10
References: 5735
Patents: 116.08373 Da
Monoisotopic Mass: 0.6
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]+	117.091006	123.9
[M+Na]+	139.072948	133.0
[M-H]-	115.076454	129.5
[M+NH4]+	134.117553	140.6
[M+K]+	155.046888	133.9
[M+H-H2O]+	99.080990	118.1
[M+HCOO]-	161.081931	146.6
[M+CH3COO]-	175.097581	174.1
[M+Na-2H]-	137.058396	131.5
[M]+	116.08318142	129.3
[M]-	116.08427858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe