CID 54708610

Spirotetramat-enol

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC1=CC(=C(C=C1)C)C2=C(C3(CCC(CC3)OC)NC2=O)O
InChI
InChI=1S/C18H23NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,20H,6-9H2,1-3H3,(H,19,21)
InChIKey
IDJJHEIUIYGFDX-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

403
Patents

301.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.6
[M+Na]+ 324.15702 179.2
[M-H]- 300.16052 176.8
[M+NH4]+ 319.20162 188.6
[M+K]+ 340.13096 174.0
[M+H-H2O]+ 284.16506 164.7
[M+HCOO]- 346.16600 187.5
[M+CH3COO]- 360.18165 200.0
[M+Na-2H]- 322.14247 170.9
[M]+ 301.16725 168.1
[M]- 301.16835 168.1
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