CID 12430602

67572-28-5

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC(=O)N1C2CCC1CNC2

InChI

InChI=1S/C8H14N2O/c1-6(11)10-7-2-3-8(10)5-9-4-7/h7-9H,2-5H2,1H3

InChIKey

AQUCDZZCANBRFO-UHFFFAOYSA-N

Compound name

1-(3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 154.11061 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]+	155.11789	135.3
[M+Na]+	177.09983	141.4
[M-H]-	153.10333	133.5
[M+NH4]+	172.14443	156.4
[M+K]+	193.07377	139.3
[M+H-H2O]+	137.10787	129.2
[M+HCOO]-	199.10881	150.1
[M+CH3COO]-	213.12446	173.6
[M+Na-2H]-	175.08528	139.0
[M]+	154.11006	130.2
[M]-	154.11116	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe