CID 75630

Tert-butylmethylnitrosamine

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CC(C)(C)N(C)N=O

InChI

InChI=1S/C5H12N2O/c1-5(2,3)7(4)6-8/h1-4H3

InChIKey

YDNOESAJRGHRAE-UHFFFAOYSA-N

Compound name

N-tert-butyl-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 11
Patents: 116.09496 Da
Monoisotopic Mass: 0.8
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	130.2
[M-H]-	115.08768	126.5
[M+NH4]+	134.12878	146.5
[M+K]+	155.05812	132.7
[M+H-H2O]+	99.092220	118.0
[M+HCOO]-	161.09316	149.9
[M+CH3COO]-	175.10881	180.7
[M+Na-2H]-	137.06963	131.3
[M]+	116.09441	125.5
[M]-	116.09551	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe