CID 10045

3,3-dimethyl-2-butanol

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

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

InChI

InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3

InChIKey

DFOXKPDFWGNLJU-UHFFFAOYSA-N

Compound name

3,3-dimethylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 10
References: 11339
Patents: 102.10446 Da
Monoisotopic Mass: 1.5
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]+	103.11174	122.2
[M+Na]+	125.09368	129.4
[M-H]-	101.09718	121.7
[M+NH4]+	120.13828	145.2
[M+K]+	141.06762	129.7
[M+H-H2O]+	85.101720	119.1
[M+HCOO]-	147.10266	142.3
[M+CH3COO]-	161.11831	167.0
[M+Na-2H]-	123.07913	128.3
[M]+	102.10391	121.9
[M]-	102.10501	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe