CID 11320910

1-hexen-1-ol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCCC/C=C/O

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+

InChIKey

JHEPBQHNVNUAFL-AATRIKPKSA-N

Compound name

(E)-hex-1-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6852
Patents: 100.08881 Da
Monoisotopic Mass: 2.2
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	121.1
[M+Na]+	123.07803	128.3
[M-H]-	99.081534	120.1
[M+NH4]+	118.12263	144.0
[M+K]+	139.05197	127.2
[M+H-H2O]+	83.086070	117.2
[M+HCOO]-	145.08701	143.9
[M+CH3COO]-	159.10266	164.9
[M+Na-2H]-	121.06348	127.9
[M]+	100.08826	121.2
[M]-	100.08936	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe