CID 3016088

4,4-dimethoxybutan-2-ol

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(CC(OC)OC)O

InChI

InChI=1S/C6H14O3/c1-5(7)4-6(8-2)9-3/h5-7H,4H2,1-3H3

InChIKey

QBOIGWDDFIREJQ-UHFFFAOYSA-N

Compound name

4,4-dimethoxybutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 134.0943 Da
Monoisotopic Mass: 0.2
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]+	135.101576	129.2
[M+Na]+	157.083518	135.5
[M-H]-	133.087024	128.1
[M+NH4]+	152.128123	150.4
[M+K]+	173.057458	136.7
[M+H-H2O]+	117.091560	124.7
[M+HCOO]-	179.092501	150.2
[M+CH3COO]-	193.108151	172.2
[M+Na-2H]-	155.068966	133.2
[M]+	134.09375142	131.6
[M]-	134.09484858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe