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

35486
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

literature stripe

Patent stripe

patents stripe