CID 12297

2-hexanol

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCCCC(C)O

InChI

InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3

InChIKey

QNVRIHYSUZMSGM-UHFFFAOYSA-N

Compound name

hexan-2-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 61
References: 44899
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	121.7
[M+Na]+	125.09368	132.0
[M+NH4]+	120.13828	130.1
[M+K]+	141.06762	126.7
[M-H]-	101.09718	121.2
[M+Na-2H]-	123.07913	125.6
[M]+	102.10391	122.9
[M]-	102.10501	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe