CID 3485713

1-(2-methoxyethoxy)-2-methyl-2-propanol

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CC(C)(COCCOC)O

InChI

InChI=1S/C7H16O3/c1-7(2,8)6-10-5-4-9-3/h8H,4-6H2,1-3H3

InChIKey

SIUWDFVMEASCRP-UHFFFAOYSA-N

Compound name

1-(2-methoxyethoxy)-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 394
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	131.9
[M+Na]+	171.09916	141.0
[M+NH4]+	166.14376	138.8
[M+K]+	187.07310	137.0
[M-H]-	147.10266	129.8
[M+Na-2H]-	169.08461	134.7
[M]+	148.10939	132.4
[M]-	148.11049	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe