CID 12304

Isopropyl propyl ether

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCCOC(C)C

InChI

InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3

InChIKey

JIEJJGMNDWIGBJ-UHFFFAOYSA-N

Compound name

1-propan-2-yloxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7401
Patents: 102.10446 Da
Monoisotopic Mass: 1.8
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]+	103.11174	122.0
[M+Na]+	125.09368	129.0
[M-H]-	101.09718	122.4
[M+NH4]+	120.13828	145.5
[M+K]+	141.06762	129.9
[M+H-H2O]+	85.101720	117.8
[M+HCOO]-	147.10266	145.1
[M+CH3COO]-	161.11831	170.2
[M+Na-2H]-	123.07913	128.0
[M]+	102.10391	124.1
[M]-	102.10501	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe