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: 52
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]+	159.112806	133.3
[M+Na]+	181.094748	139.8
[M-H]-	157.098254	136.7
[M+NH4]+	176.139353	155.1
[M+K]+	197.068688	142.2
[M+H-H2O]+	141.102790	128.1
[M+HCOO]-	203.103731	159.2
[M+CH3COO]-	217.119381	189.3
[M+Na-2H]-	179.080196	139.7
[M]+	158.10498142	137.0
[M]-	158.10607858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe