CID 71262200

Spirodetramat-desmethyl-enol

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC1=CC(=C(C=C1)C)C2=C(C3(CCC(CC3)O)NC2=O)O
InChI
InChI=1S/C17H21NO3/c1-10-3-4-11(2)13(9-10)14-15(20)17(18-16(14)21)7-5-12(19)6-8-17/h3-4,9,12,19-20H,5-8H2,1-2H3,(H,18,21)
InChIKey
WTHFWKYIZJQFDV-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-4,8-dihydroxy-1-azaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

287.15213 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 167.9
[M+Na]+ 310.141348 175.5
[M-H]- 286.144854 171.9
[M+NH4]+ 305.185953 184.7
[M+K]+ 326.115288 169.6
[M+H-H2O]+ 270.149390 161.5
[M+HCOO]- 332.150331 182.5
[M+CH3COO]- 346.165981 194.8
[M+Na-2H]- 308.126796 167.2
[M]+ 287.15158142 162.3
[M]- 287.15267858 162.3
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