CID 165363149

Acetamiprid metabolite (ib-1-1)

Structural Information

Molecular Formula

C₁₀H₁₂N₄O

SMILES

CC(=NC#N)N(C)CC1=CC2C1NC2=O

InChI

InChI=1S/C10H12N4O/c1-6(12-5-11)14(2)4-7-3-8-9(7)13-10(8)15/h3,8-9H,4H2,1-2H3,(H,13,15)

InChIKey

GPASAKLEYDRUCH-UHFFFAOYSA-N

Compound name

N'-cyano-N-methyl-N-[(3-oxo-2-azabicyclo[2.2.0]hex-5-en-6-yl)methyl]ethanimidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 204.1011 Da
Monoisotopic Mass: -1.1
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]+	205.108376	143.5
[M+Na]+	227.090318	147.5
[M-H]-	203.093824	146.7
[M+NH4]+	222.134923	148.0
[M+K]+	243.064258	154.9
[M+H-H2O]+	187.098360	121.3
[M+HCOO]-	249.099301	159.2
[M+CH3COO]-	263.114951	215.4
[M+Na-2H]-	225.075766	146.2
[M]+	204.10055142	153.7
[M]-	204.10164858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.