CID 85978

2-hexen-3-ol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCCC(=CC)O

InChI

InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,7H,3,5H2,1-2H3

InChIKey

SPWMFXSIAMGJPC-UHFFFAOYSA-N

Compound name

hex-2-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 387
Patents: 100.08881 Da
Monoisotopic Mass: 1.9
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]+	101.09609	121.3
[M+Na]+	123.07803	131.6
[M+NH4]+	118.12263	129.5
[M+K]+	139.05197	126.2
[M-H]-	99.081534	120.6
[M+Na-2H]-	121.06348	125.0
[M]+	100.08826	122.3
[M]-	100.08936	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe