CID 84107412

2416233-67-3

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC(=O)N1CC2(C1)CCNC2

InChI

InChI=1S/C8H14N2O/c1-7(11)10-5-8(6-10)2-3-9-4-8/h9H,2-6H2,1H3

InChIKey

GTLSMKNLBDCAOQ-UHFFFAOYSA-N

Compound name

1-(2,7-diazaspiro[3.4]octan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.11061 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]+	155.11789	133.9
[M+Na]+	177.09983	139.0
[M-H]-	153.10333	135.2
[M+NH4]+	172.14443	148.9
[M+K]+	193.07377	140.2
[M+H-H2O]+	137.10787	123.3
[M+HCOO]-	199.10881	150.2
[M+CH3COO]-	213.12446	174.9
[M+Na-2H]-	175.08528	137.5
[M]+	154.11006	137.3
[M]-	154.11116	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe