CID 117999640

2742656-98-8

Structural Information

Molecular Formula

SMILES

CN1CC2(C1)CC(=O)C2

InChI

InChI=1S/C7H11NO/c1-8-4-7(5-8)2-6(9)3-7/h2-5H2,1H3

InChIKey

WGOLIEPZFFKYGJ-UHFFFAOYSA-N

Compound name

2-methyl-2-azaspiro[3.3]heptan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 125.08406 Da
Monoisotopic Mass: -0.4
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]+	126.09134	129.0
[M+Na]+	148.07328	131.1
[M+NH4]+	143.11788	131.0
[M+K]+	164.04722	128.2
[M-H]-	124.07678	125.4
[M+Na-2H]-	146.05873	130.5
[M]+	125.08351	126.1
[M]-	125.08461	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe