CID 71687232

1825377-73-8

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1C[C@H]2CNC[C@@H]1C(=O)N2

InChI

InChI=1S/C7H12N2O/c10-7-5-1-2-6(9-7)4-8-3-5/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1

InChIKey

KNPIHDSEMFBJJK-RITPCOANSA-N

Compound name

(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 140.09496 Da
Monoisotopic Mass: -0.6
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]+	141.102236	136.2
[M+Na]+	163.084178	144.3
[M-H]-	139.087684	133.7
[M+NH4]+	158.128783	155.8
[M+K]+	179.058118	141.0
[M+H-H2O]+	123.092220	135.4
[M+HCOO]-	185.093161	144.9
[M+CH3COO]-	199.108811	145.7
[M+Na-2H]-	161.069626	146.7
[M]+	140.09441142	131.9
[M]-	140.09550858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe