CID 85370

16339-21-2

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C7H14N2O2/c1-6(10)5-7(2,3)9(4)8-11/h5H2,1-4H3

InChIKey

BUFWFGAUZTUMMV-UHFFFAOYSA-N

Compound name

N-methyl-N-(2-methyl-4-oxopentan-2-yl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 158.10553 Da
Monoisotopic Mass: 0.5
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]+	159.11281	134.9
[M+Na]+	181.09475	142.9
[M+NH4]+	176.13935	141.6
[M+K]+	197.06869	139.7
[M-H]-	157.09825	134.4
[M+Na-2H]-	179.08020	138.3
[M]+	158.10498	135.5
[M]-	158.10608	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe