CID 102794

3,3-dimethoxybutan-2-ol

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(C(C)(OC)OC)O

InChI

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

InChIKey

DXWNUMKRJFXZMZ-UHFFFAOYSA-N

Compound name

3,3-dimethoxybutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 134.0943 Da
Monoisotopic Mass: 0.0
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	128.3
[M+Na]+	157.083518	135.3
[M-H]-	133.087024	127.5
[M+NH4]+	152.128123	149.8
[M+K]+	173.057458	136.5
[M+H-H2O]+	117.091560	124.6
[M+HCOO]-	179.092501	148.8
[M+CH3COO]-	193.108151	171.6
[M+Na-2H]-	155.068966	134.4
[M]+	134.09375142	130.9
[M]-	134.09484858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe