CID 11261

3-methyl-2-pentanol

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCC(C)C(C)O

InChI

InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3

InChIKey

ZXNBBWHRUSXUFZ-UHFFFAOYSA-N

Compound name

3-methylpentan-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 17470
Patents: 102.10446 Da
Monoisotopic Mass: 1.7
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]+	103.111736	123.2
[M+Na]+	125.093678	129.6
[M-H]-	101.097184	122.3
[M+NH4]+	120.138283	145.9
[M+K]+	141.067618	129.9
[M+H-H2O]+	85.101720	119.3
[M+HCOO]-	147.102661	143.7
[M+CH3COO]-	161.118311	168.2
[M+Na-2H]-	123.079126	127.3
[M]+	102.10391142	122.7
[M]-	102.10500858	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe