CID 6493

3-methyl-3-pentanol

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCC(C)(CC)O

InChI

InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

InChIKey

FRDAATYAJDYRNW-UHFFFAOYSA-N

Compound name

3-methylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 15407
Patents: 102.10446 Da
Monoisotopic Mass: 1.4
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	121.7
[M+Na]+	125.09368	132.0
[M+NH4]+	120.13828	130.0
[M+K]+	141.06762	127.1
[M-H]-	101.09718	120.7
[M+Na-2H]-	123.07913	125.7
[M]+	102.10391	122.8
[M]-	102.10501	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe