CID 41467

2,5-dimethyl-n-nitrosopyrrolidine

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC1CCC(N1N=O)C

InChI

InChI=1S/C6H12N2O/c1-5-3-4-6(2)8(5)7-9/h5-6H,3-4H2,1-2H3

InChIKey

FRMDNAKEXMEBOM-UHFFFAOYSA-N

Compound name

2,5-dimethyl-1-nitrosopyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 128.09496 Da
Monoisotopic Mass: 0.9
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]+	129.10224	124.9
[M+Na]+	151.08418	133.0
[M-H]-	127.08768	128.7
[M+NH4]+	146.12878	148.2
[M+K]+	167.05812	133.3
[M+H-H2O]+	111.09222	118.9
[M+HCOO]-	173.09316	149.8
[M+CH3COO]-	187.10881	176.6
[M+Na-2H]-	149.06963	129.8
[M]+	128.09441	124.6
[M]-	128.09551	124.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.