CID 55300725

1190927-48-0

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC(=O)N1C[C@@H]2C[C@H]1CN2

InChI

InChI=1S/C7H12N2O/c1-5(10)9-4-6-2-7(9)3-8-6/h6-8H,2-4H2,1H3/t6-,7-/m0/s1

InChIKey

MKYKYZQDRKWIAT-BQBZGAKWSA-N

Compound name

1-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 140.09496 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]+	141.10224	132.2
[M+Na]+	163.08418	139.5
[M-H]-	139.08768	131.0
[M+NH4]+	158.12878	155.6
[M+K]+	179.05812	137.9
[M+H-H2O]+	123.09222	126.6
[M+HCOO]-	185.09316	149.5
[M+CH3COO]-	199.10881	170.8
[M+Na-2H]-	161.06963	134.8
[M]+	140.09441	128.9
[M]-	140.09551	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe