CID 5318599

Trans-2-octen-1-ol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCCCC/C=C/CO

InChI

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+

InChIKey

AYQPVPFZWIQERS-VOTSOKGWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 14
References: 2282
Patents: 128.12012 Da
Monoisotopic Mass: 2.5
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]+	129.12740	129.7
[M+Na]+	151.10934	140.0
[M+NH4]+	146.15394	137.7
[M+K]+	167.08328	133.3
[M-H]-	127.11284	129.1
[M+Na-2H]-	149.09479	133.3
[M]+	128.11957	130.8
[M]-	128.12067	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe