CID 52644091

1330170-43-8

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CN1C[C@@H]2CC[C@@H](N2)CC1=O

InChI

InChI=1S/C8H14N2O/c1-10-5-7-3-2-6(9-7)4-8(10)11/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1

InChIKey

QKAKLAFGBZQMLX-RQJHMYQMSA-N

Compound name

(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 154.11061 Da
Monoisotopic Mass: -0.4
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]+	155.117886	131.1
[M+Na]+	177.099828	136.9
[M-H]-	153.103334	131.2
[M+NH4]+	172.144433	151.0
[M+K]+	193.073768	137.4
[M+H-H2O]+	137.107870	124.9
[M+HCOO]-	199.108811	146.5
[M+CH3COO]-	213.124461	142.6
[M+Na-2H]-	175.085276	135.2
[M]+	154.11006142	124.1
[M]-	154.11115858	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe