CID 25483

55956-21-3

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CC(CO)OC(C)COC

InChI

InChI=1S/C7H16O3/c1-6(4-8)10-7(2)5-9-3/h6-8H,4-5H2,1-3H3

InChIKey

OOELPXADJSCXDE-UHFFFAOYSA-N

Compound name

2-(1-methoxypropan-2-yloxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 148.10994 Da
Monoisotopic Mass: 0.1
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]+	149.11722	132.4
[M+Na]+	171.09916	141.2
[M+NH4]+	166.14376	139.3
[M+K]+	187.07310	137.5
[M-H]-	147.10266	130.5
[M+Na-2H]-	169.08461	134.6
[M]+	148.10939	132.8
[M]-	148.11049	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe