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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10838 143.5
[M+Na]+ 227.09032 147.5
[M-H]- 203.09382 146.7
[M+NH4]+ 222.13492 148.0
[M+K]+ 243.06426 154.9
[M+H-H2O]+ 187.09836 121.3
[M+HCOO]- 249.09930 159.2
[M+CH3COO]- 263.11495 215.4
[M+Na-2H]- 225.07577 146.2
[M]+ 204.10055 153.7
[M]- 204.10165 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.