CID 108944

60451-35-6

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

C=CNC(=O)N1CCCCCC1=O

InChI

InChI=1S/C9H14N2O2/c1-2-10-9(13)11-7-5-3-4-6-8(11)12/h2H,1,3-7H2,(H,10,13)

InChIKey

VGRKPIRDMXWKDE-UHFFFAOYSA-N

Compound name

N-ethenyl-2-oxoazepane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.10553 Da
Monoisotopic Mass: 1.2
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]+	183.112806	135.8
[M+Na]+	205.094748	139.1
[M-H]-	181.098254	138.6
[M+NH4]+	200.139353	152.6
[M+K]+	221.068688	142.3
[M+H-H2O]+	165.102790	129.1
[M+HCOO]-	227.103731	155.1
[M+CH3COO]-	241.119381	183.7
[M+Na-2H]-	203.080196	139.4
[M]+	182.10498142	128.6
[M]-	182.10607858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe