CID 25459

Butyl-methylimino-oxidoazanium

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCCC[N+](=NC)[O-]

InChI

InChI=1S/C5H12N2O/c1-3-4-5-7(8)6-2/h3-5H2,1-2H3

InChIKey

RRROREHZDRAVJK-UHFFFAOYSA-N

Compound name

butyl-methylimino-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 116.09496 Da
Monoisotopic Mass: 1.0
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]+	117.10224	122.8
[M+Na]+	139.08418	134.0
[M+NH4]+	134.12878	131.6
[M+K]+	155.05812	130.3
[M-H]-	115.08768	125.3
[M+Na-2H]-	137.06963	127.8
[M]+	116.09441	124.8
[M]-	116.09551	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.