CID 5318042

Trans-2-hexen-1-ol

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCC/C=C/CO

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+

InChIKey

ZCHHRLHTBGRGOT-SNAWJCMRSA-N

Compound name

(E)-hex-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 54
References: 8833
Patents: 100.08881 Da
Monoisotopic Mass: 1.4
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	120.8
[M+Na]+	123.07803	131.5
[M+NH4]+	118.12263	129.1
[M+K]+	139.05197	125.2
[M-H]-	99.081534	120.3
[M+Na-2H]-	121.06348	124.9
[M]+	100.08826	122.0
[M]-	100.08936	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe