CID 89988

4,4-dimethoxybutan-1-ol

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

COC(CCCO)OC

InChI

InChI=1S/C6H14O3/c1-8-6(9-2)4-3-5-7/h6-7H,3-5H2,1-2H3

InChIKey

DDPMQWOBGOWNKA-UHFFFAOYSA-N

Compound name

4,4-dimethoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 160
Patents: 134.0943 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]+	135.10158	128.9
[M+Na]+	157.08352	135.4
[M-H]-	133.08702	127.7
[M+NH4]+	152.12812	150.2
[M+K]+	173.05746	136.1
[M+H-H2O]+	117.09156	124.3
[M+HCOO]-	179.09250	150.9
[M+CH3COO]-	193.10815	171.3
[M+Na-2H]-	155.06897	134.2
[M]+	134.09375	132.0
[M]-	134.09485	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe