CID 45087893

1-methylazepane-2,4-dione

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CN1CCCC(=O)CC1=O

InChI

InChI=1S/C7H11NO2/c1-8-4-2-3-6(9)5-7(8)10/h2-5H2,1H3

InChIKey

ISCOKKIHSCAABI-UHFFFAOYSA-N

Compound name

1-methylazepane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 141.07898 Da
Monoisotopic Mass: -0.3
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]+	142.08626	126.1
[M+Na]+	164.06820	135.3
[M+NH4]+	159.11280	133.1
[M+K]+	180.04214	131.9
[M-H]-	140.07170	126.4
[M+Na-2H]-	162.05365	130.7
[M]+	141.07843	127.2
[M]-	141.07953	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe