CID 297408

Schembl6169933

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CN2CCC1C(=NO)C2

InChI

InChI=1S/C7H12N2O/c10-8-7-5-9-3-1-6(7)2-4-9/h6,10H,1-5H2

InChIKey

QSXHBTDHLNHMLV-UHFFFAOYSA-N

Compound name

N-(1-azabicyclo[2.2.2]octan-3-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
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]+	141.10224	125.2
[M+Na]+	163.08418	129.8
[M-H]-	139.08768	120.8
[M+NH4]+	158.12878	149.7
[M+K]+	179.05812	128.5
[M+H-H2O]+	123.09222	120.4
[M+HCOO]-	185.09316	138.4
[M+CH3COO]-	199.10881	136.5
[M+Na-2H]-	161.06963	138.4
[M]+	140.09441	124.4
[M]-	140.09551	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe