CID 66437009

940928-45-0

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1CC(CCO1)C(=O)C

InChI

InChI=1S/C8H14O2/c1-6-5-8(7(2)9)3-4-10-6/h6,8H,3-5H2,1-2H3

InChIKey

HZRKWNUVYQZXRO-UHFFFAOYSA-N

Compound name

1-(2-methyloxan-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.09938 Da
Monoisotopic Mass: 0.7
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]+	143.106656	129.5
[M+Na]+	165.088598	135.2
[M-H]-	141.092104	133.3
[M+NH4]+	160.133203	149.7
[M+K]+	181.062538	136.2
[M+H-H2O]+	125.096640	124.4
[M+HCOO]-	187.097581	148.8
[M+CH3COO]-	201.113231	174.5
[M+Na-2H]-	163.074046	134.4
[M]+	142.09883142	127.3
[M]-	142.09992858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe