CID 542357

20637-34-7

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CC(CO)(COC)COC

InChI

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

InChIKey

GJDPWHURBFNYAV-UHFFFAOYSA-N

Compound name

3-methoxy-2-(methoxymethyl)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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	133.1
[M+Na]+	171.09916	139.9
[M-H]-	147.10266	132.1
[M+NH4]+	166.14376	154.1
[M+K]+	187.07310	140.3
[M+H-H2O]+	131.10720	129.0
[M+HCOO]-	193.10814	154.3
[M+CH3COO]-	207.12379	173.8
[M+Na-2H]-	169.08461	139.9
[M]+	148.10939	136.8
[M]-	148.11049	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe