CID 102968

6-ethyltetrahydro-2h-pyran-2-one

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCC1CCCC(=O)O1

InChI

InChI=1S/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3

InChIKey

JFVQYQDTHWLYHG-UHFFFAOYSA-N

Compound name

6-ethyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 901
Patents: 128.08372 Da
Monoisotopic Mass: 1.5
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]+	129.090996	124.5
[M+Na]+	151.072938	130.9
[M-H]-	127.076444	128.5
[M+NH4]+	146.117543	145.4
[M+K]+	167.046878	131.7
[M+H-H2O]+	111.080980	119.5
[M+HCOO]-	173.081921	145.2
[M+CH3COO]-	187.097571	170.6
[M+Na-2H]-	149.058386	131.3
[M]+	128.08317142	122.6
[M]-	128.08426858	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe