CID 45835

63978-07-4

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

CC(=O)N1C2CCC1CN(C2)C

InChI

InChI=1S/C9H16N2O/c1-7(12)11-8-3-4-9(11)6-10(2)5-8/h8-9H,3-6H2,1-2H3

InChIKey

SWUJAINMZHBCAY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 168.12627 Da
Monoisotopic Mass: 0.2
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]+	169.13355	138.6
[M+Na]+	191.11549	148.2
[M+NH4]+	186.16009	147.0
[M+K]+	207.08943	144.6
[M-H]-	167.11899	138.0
[M+Na-2H]-	189.10094	139.8
[M]+	168.12572	139.4
[M]-	168.12682	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe