CID 6112114

Kresoxim-methyl

Structural Information

Molecular Formula
C18H19NO4
SMILES
CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC
InChI
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
InChIKey
ZOTBXTZVPHCKPN-HTXNQAPBSA-N
Compound name
methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

112
References

38524
Patents

313.1314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 173.0
[M+Na]+ 336.12062 179.0
[M-H]- 312.12412 180.9
[M+NH4]+ 331.16522 187.6
[M+K]+ 352.09456 177.3
[M+H-H2O]+ 296.12866 164.1
[M+HCOO]- 358.12960 197.7
[M+CH3COO]- 372.14525 210.7
[M+Na-2H]- 334.10607 175.9
[M]+ 313.13085 178.2
[M]- 313.13195 178.2
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.