CID 25484

20324-32-7

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CC(COC(C)COC)O

InChI

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

InChIKey

WGYZMNBUZFHYRX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 22
References: 71458
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	133.9
[M+Na]+	171.09916	139.8
[M-H]-	147.10266	132.7
[M+NH4]+	166.14376	154.6
[M+K]+	187.07310	140.7
[M+H-H2O]+	131.10720	129.2
[M+HCOO]-	193.10814	154.6
[M+CH3COO]-	207.12379	175.2
[M+Na-2H]-	169.08461	137.3
[M]+	148.10939	136.7
[M]-	148.11049	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe