CID 51227

Mambna

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C9H18N2O2/c1-7(2)5-6-11(10-13)8(3)9(4)12/h7-8H,5-6H2,1-4H3

InChIKey

SJEKZTPKCBODER-UHFFFAOYSA-N

Compound name

N-(3-methylbutyl)-N-(3-oxobutan-2-yl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 186.13683 Da
Monoisotopic Mass: 2.0
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]+	187.14411	144.3
[M+Na]+	209.12605	151.5
[M+NH4]+	204.17065	150.6
[M+K]+	225.09999	148.2
[M-H]-	185.12955	143.9
[M+Na-2H]-	207.11150	146.5
[M]+	186.13628	144.7
[M]-	186.13738	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe