CID 11264

2-methyl-3-pentanol

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCC(C(C)C)O

InChI

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

InChIKey

ISTJMQSHILQAEC-UHFFFAOYSA-N

Compound name

2-methylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 12265
Patents: 102.10446 Da
Monoisotopic Mass: 1.8
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	123.2
[M+Na]+	125.09368	129.6
[M-H]-	101.09718	122.3
[M+NH4]+	120.13828	145.9
[M+K]+	141.06762	129.9
[M+H-H2O]+	85.101720	119.3
[M+HCOO]-	147.10266	143.7
[M+CH3COO]-	161.11831	168.2
[M+Na-2H]-	123.07913	127.3
[M]+	102.10391	122.7
[M]-	102.10501	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe