CID 20055208

Kresoxim-methyl acid

Structural Information

Molecular Formula
C17H17NO4
SMILES
CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)O
InChI
InChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-13-8-4-5-9-14(13)16(17(19)20)18-21-2/h3-10H,11H2,1-2H3,(H,19,20)/b18-16+
InChIKey
LXOPDEDFRXZTNO-FBMGVBCBSA-N
Compound name
(2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

565
Patents

299.11575 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 169.1
[M+Na]+ 322.10497 181.4
[M+NH4]+ 317.14957 175.6
[M+K]+ 338.07891 175.3
[M-H]- 298.10847 172.5
[M+Na-2H]- 320.09042 176.5
[M]+ 299.11520 171.6
[M]- 299.11630 171.6
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