CID 542172

7-octen-2-ol

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC(CCCCC=C)O

InChI

InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3,8-9H,1,4-7H2,2H3

InChIKey

HSHUHVOEMVTVRS-UHFFFAOYSA-N

Compound name

oct-7-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 617
Patents: 128.12012 Da
Monoisotopic Mass: 2.3
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]+	129.127396	130.7
[M+Na]+	151.109338	136.8
[M-H]-	127.112844	129.4
[M+NH4]+	146.153943	152.3
[M+K]+	167.083278	135.5
[M+H-H2O]+	111.117380	126.4
[M+HCOO]-	173.118321	151.8
[M+CH3COO]-	187.133971	172.5
[M+Na-2H]-	149.094786	135.0
[M]+	128.11957142	130.9
[M]-	128.12066858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe