CID 139597055

Spirotetramat-oxo-enol

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC1=CC(=C(C=C1)C)C2=C(C3(CCC(=O)CC3)NC2=O)O
InChI
InChI=1S/C17H19NO3/c1-10-3-4-11(2)13(9-10)14-15(20)17(18-16(14)21)7-5-12(19)6-8-17/h3-4,9,20H,5-8H2,1-2H3,(H,18,21)
InChIKey
SFOGCUWIBAMWIT-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-ene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

285.1365 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.143776 166.1
[M+Na]+ 308.125718 174.4
[M-H]- 284.129224 171.5
[M+NH4]+ 303.170323 183.7
[M+K]+ 324.099658 168.8
[M+H-H2O]+ 268.133760 159.5
[M+HCOO]- 330.134701 182.5
[M+CH3COO]- 344.150351 196.3
[M+Na-2H]- 306.111166 165.9
[M]+ 285.13595142 161.6
[M]- 285.13704858 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe