CID 6453079

54786-86-6

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CC2CN(CC2C1)N=O

InChI

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

InChIKey

FSCBDDOKZIRLCN-UHFFFAOYSA-N

Compound name

2-nitroso-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.09496 Da
Monoisotopic Mass: 1.5
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	129.4
[M+Na]+	163.08418	137.9
[M+NH4]+	158.12878	138.6
[M+K]+	179.05812	135.9
[M-H]-	139.08768	130.8
[M+Na-2H]-	161.06963	132.8
[M]+	140.09441	130.6
[M]-	140.09551	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe