CID 55264585

1203681-81-5

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CN1CCC2(C1=O)CNC2

InChI

InChI=1S/C7H12N2O/c1-9-3-2-7(6(9)10)4-8-5-7/h8H,2-5H2,1H3

InChIKey

WMXGVXUTXPHLBA-UHFFFAOYSA-N

Compound name

6-methyl-2,6-diazaspiro[3.4]octan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 140.09496 Da
Monoisotopic Mass: -1.0
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]+	141.10224	127.2
[M+Na]+	163.08418	133.9
[M-H]-	139.08768	129.0
[M+NH4]+	158.12878	143.1
[M+K]+	179.05812	134.8
[M+H-H2O]+	123.09222	117.1
[M+HCOO]-	185.09316	144.9
[M+CH3COO]-	199.10881	172.9
[M+Na-2H]-	161.06963	132.1
[M]+	140.09441	131.4
[M]-	140.09551	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe